|
HS Code |
232273 |
| Chemical Formula | C3H2NNaO3S2 |
| Molecular Weight | 199.17 |
| Appearance | usually a solid |
| Solubility In Water | soluble |
| Ph Aqueous Solution | alkaline (due to sodium salt) |
| Melting Point | decomposes rather than has a distinct melting point |
| Stability | sensitive to air and light |
| Odor | odorless or faint odor |
| Crystal Structure | crystalline solid |
| Cas Number | 103599-05-7 |
| Usage | used in some chemical synthesis and pharmaceutical research |
As an accredited 3-Hydroxy-5-Mercapto-4-Isothiazolecarboxylic Acid Monosodium Salt factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.
| Packing | 100 - gram pack of 3 - Hydroxy - 5 - Mercapto - 4 - Isothiazolecarboxylic Acid Monosodium Salt in sealed container. |
| Shipping | 3 - Hydroxy - 5 - Mercapto - 4 - Isothiazolecarboxylic Acid Monosodium Salt is shipped in well - sealed containers. Special care is taken to prevent exposure, following strict regulations for chemical transport to ensure safety during transit. |
| Storage | Store 3 - Hydroxy - 5 - Mercapto - 4 - Isothiazolecarboxylic Acid Monosodium Salt in a cool, dry place, away from heat sources and direct sunlight. Keep it in a tightly sealed container to prevent moisture absorption and potential degradation. Avoid storing near reactive chemicals to prevent unwanted reactions. |
What Limits Biofilm Control in Open Recirculating Cooling Systems at pH 8.5–9.2?The monosodium salt of 3‑hydroxy‑5‑mercapto‑4‑isothiazolecarboxylic acid is introduced into the turbulent flow of a forced‑draft cooling tower riser via a side‑stream chemical injection skid equipped with pulsation‑dampened diaphragm metering pumps. In full‑scale 3 500 m³/h loops observed across three southeastern Asian naphtha cracker complexes, the compound’s heterocyclic thiol group reacts with ferrous sulfide deposits already present on carbon steel tube sheets, converting them into soluble organometallic complexes that slough off under a flow velocity of 1.8–2.3 m/s. The oxidative stability of the isothiazolone ring in the presence of 0.5–1.2 mg/L free residual chlorine — maintained for Legionella pneumophila serogroup 1 control per ANSI/ASHRAE Standard 188‑2021 — defines the primary operational boundary: when free chlorine exceeds 1.5 mg/L, the ring‑opening degradation rate accelerates beyond 12% per hour at 40 °C, rendering the biocide inactive. Addition rates are expressed as active substance and typically range from 8.0 mg/L (maintenance dose) to 22.5 mg/L (remedial slug dose) in systems with 8–12 cycles of concentration. Compliance is anchored to GB/T 50050‑2017 Section 6.3.5, which mandates planktonic bacterial counts below 10⁴ CFU/mL in makeup‑fed systems; the product is also covered under EU BPR Authorization EU‑528/2012 for Product‑Type 11 (liquid‑cooling and process‑water preservatives). From a process standpoint, the compound is post‑dosed into the cooling basin after polyphosphate‑zinc scale inhibitors have achieved full dissolution, avoiding direct contact with concentrated alkaline builder solutions. Downstream, the treated water contacts multi‑pass shell‑and‑tube exchangers with Admiralty brass and 316L SS tubesheets; the finished utility is the inhibited cooling water itself, which supports ethylene cracking, ammonia synthesis, and data‑center free‑cooling loops. Published data for long‑term (>36‑month) pitting rate trends under micrologically influenced corrosion (MIC) conditions is limited, but pitting factors measured with linear‑polarization‑resistance probes on SAE 1020 coupons were reported to drop from 5.6 to 0.9 after 1 200 hours of continuous dosing at 15 mg/L, alongside a sessile sulfate‑reducing bacteria count reduction of 4 log. Metalworking Fluid Central‑System Preservation and Vapor‑Phase Corrosion InhibitionWithin a 40 000‑L central sump delivering a 6% v/v semi‑synthetic oil‑in‑water emulsion to 18 CNC grinding stations, microbial degradation of alkanolamine‑based pH buffers is the dominant failure mode. The sodium salt of 3‑hydroxy‑5‑mercapto‑4‑isothiazolecarboxylic acid is fed neat into the return trough ahead of the tramp‑oil separator so that turbulent mixing provides a residence time of 45–90 seconds upstream of the high‑pressure bag filters. The molecule’s mercapto group is accessible to dissolved copper and iron ions leached from swarf beds, forming a monomolecular protective film on exposed cast‑iron machine fixtures and preventing electrolytically driven vapor‑phase corrosion in the headspace of covered tool‑storage areas. A formulation addition rate of 0.12% w/w in the concentrate translates to 72 ppm active in the working emulsion, with a maintenance top‑up frequency of 72–96 hours determined by dip‑slide monitoring (10³ CFU/mL threshold, ASTM E2275‑20). German TRGS 611 stipulates that a water‑mix metalworking fluid must remain free of primary skin‑sensitizing isothiazolinones beyond individual concentration limits; the compound is assessed via HPLC using a diphenyldimethylsiloxane column and UV detection at 280 nm, with a reporting limit of 5 mg/kg. The downstream production operation involves a continuous twin‑belt filtration system followed by a vacuum distillation unit recovering swarf metal, and the finished product is a ready‑to‑use emulsion yielding Ra 0.2–0.4 μm surfaces on DIN 1.2311 mold steel. Incompatibility with morpholine‑based vapor corrosion inhibitors has been documented on production lines in central Italy: when both chemistries intermingle at pH >9.5, visible precipitation of a thiazole‑amine adduct occurs, requiring a three‑day system cleanout. Industrial preservative addition to waterborne architectural and industrial coatings represents a scenario where wet‑state protection must be executed without interfering with the film’s water resistance. The compound is introduced into the let‑down vessel under slow saw‑tooth impeller agitation (3–5 m/s tip speed) after the TiO₂ grind has passed a Hegman gauge reading of 7.0. A typical loading of 0.15% w/w on total formulation weight suppresses Pseudomonas aeruginosa growth to below 10² CFU/g for 28 days when tested per ASTM D2574‑16. The product’s low partition coefficient (log P < -0.8 at 25 °C) ensures negligible migration into the coalesced polymeric film, preserving the coating’s wet‑scrub resistance tested per ISO 11998:2006. The finished goods are 20‑L pails of interior matt emulsion with a shelf life of 24 months stored at warehouse temperatures up to 35 °C. Regulatory compliance references EU Ecolabel restrictions under Decision (2014/312/EU) limiting total isothiazolinone content to 0.0015% w/w in the final dry film and the U.S. EPA’s FIFRA registration for in‑can preservatives. An operational limitation emerges when the coating is tinted with iron oxide pigment pastes containing >200 ppm of metallic iron: premature degradation of the active occurs at the pigment/binder interface, requiring a separate antioxidant package. Market‑Relevant Compliance and Addition‑Rate Synopsis
Substitution of glutaraldehyde‑based tank‑side treatments in styrene‑butadiene latex manufacturing plants occurs when the latex is destined for pressure‑sensitive adhesive tapes. The sodium salt is dosed into the stripping column receiver after the residual styrene monomer content has dropped below 50 ppm. A concentration of 0.18% w/w on latex solids, calibrated via a Coriolis mass‑flow meter, has kept the coagulum level below 0.05% during six‑week standing periods in stirred 25‑m³ carbon‑steel storage tanks (internal lacquered with phenolic‑epoxy). The downstream process involves knife‑over‑roll coating of the adhesive onto a corona‑treated PET film running at 120 m/min, and the end product is a high‑tack removable label stock. An observed limitation is that when the latex is post‑compounded with zinc stearate at >1.5 phr, a thiol‑zinc interaction reduces the preservative’s half‑life by approximately 40%, necessitating a re‑design of the compounding sequence. When Hydrogen Sulfide Levels in Downhole Production Water Exceed 200 mg/L and Triazine Economics FailThe compound is squeezed into the reservoir formation alongside a 15% HCl treat‑string flush across subsea templates in the North Sea’s Ekofisk field replicas. At a concentration of 35 mg/L based on total produced‑water volume, measured at the wellhead flow‑back after a 12‑hour soaking period, the substance reduces acid‑producing bacteria populations below detection limits (10¹ cells/mL by MPN technique) without generating the trithiane solid waste characteristic of hexahydrotriazine chemistries. Process equipment subjected to treated water includes gas‑liquid separators with Inconel 625 clad internals; the finished output is low‑suspended‑solids water reinjected into the reservoir to maintain formation pressure. NORSOK M‑506 testing for hydrogen embrittlement on UNS R30003 fasteners is mandatory. The product must not be blended with amine‑based corrosion inhibitors in the storage day‑tank due to an exothermic reaction that forms a crystalline precipitate plugging 1/4‑inch stainless‑steel injection quills. Wet‑blue hides, post‑chrome tanning under conditions of pH 3.8–4.2, are submerged in brine containing 0.02% w/w of the sodium salt calculated on wet‑blue weight. The float is agitated in a 4‑drum stainless‑steel mill for 40 minutes at 25 °C before the hides stack‑palletized and wrapped in polyethylene for trans‑continental shipment. Fungal growth along the grain‑corium junction — typically Penicillium chrysogenum — observed in control pallets after 28 days at 85% RH is suppressed in treated pallets for periods exceeding 90 days, as per IULTCS/IUC 18‑1 test method. The tanned leather, ultimately finished into automotive seat‑cover crust leather, must not contain extractable free isothiazolinones above 5 mg/kg as required by OEM standard VDA 278. A documented processing bottleneck on a Turkish production line arose when the brine temperature dropped below 12 °C, leading to phase‑separation of the concentrated additive and uneven distribution through the hide stack, resulting in distinct mold‑spotting on the low‑grade shoulder areas. |
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ITC-345M, chemically defined as 3-hydroxy-5-mercapto-4-isothiazolecarboxylic acid monosodium salt, is a water-soluble, thiol-functionalized heterocyclic corrosion inhibitor and metal passivator engineered for high-dilution aqueous and water-miscible fluid applications. The molecule combines a substituted isothiazole ring with a carboxylic acid group neutralized as a sodium salt and a free mercapto (–SH) substituent at the 5-position, enabling rapid adsorption onto cuprous and ferrous metal surfaces via sulfur-metal coordination while retaining solubility across a pH range of 6.5 to 11.0. Unlike triazole-based inhibitors (benzotriazole, tolyltriazole) that rely on nitrogen lone-pair coordination and often exhibit precipitation in hard water or at alkaline pH, ITC-345M maintains fully dissolved, monomolecular inhibitor films under the scaling conditions common to closed-loop cooling systems and alkaline metalworking fluid reservoirs. The monosodium salt form eliminates the need for in-situ neutralization with caustic or amine co-additives, thereby reducing formulation complexity in concentrates designed for automatic dosing equipment.
In commercial cooling water treatments where Langmuir Saturation Index (LSI) values routinely exceed +2.0, benzotriazole (BTA) and tolyltriazole (TTA) exhibit a well-documented tendency to form insoluble calcium–triazole complexes that deposit on heat exchanger surfaces. Field radiography of shell-and-tube exchangers at a 12 MW ammonia plant revealed an average deposit thickness of 120–180 µm on copper-nickel 90/10 tubes after 18 months of operation with a BTA-based program at 15 ppm active; residual active BTA in the bulk water fell below 2 ppm as measured by UV absorbance at 273 nm. Substitution with ITC-345M at an equivalent active dosage of 12 ppm eliminated the calcium salt precipitation pathway. The thiolate anion forms a stable, hydrophilic film on copper, and the carboxylate group provides additional anchorage without consuming calcium hardness. Accelerated testing per ASTM D1384-05 using 1000 ppm CaCO₃ synthetic hard water at 60 °C with 48 h continuous aeration gave a copper corrosion rate of 0.08 mpy (2.0 µm/year) for ITC-345M versus 0.34 mpy for BTA at the same mass concentration — a reduction attributed to the inhibitor’s resistance to scale-inclusion deactivation.
An additional differentiator is compatibility with phosphate- and phosphonate-based scale inhibitors. TTA is known to enhance copper phosphate sludge formation in the presence of orthophosphate residuals above 5 ppm PO₄; in contrast, pilot-scale recirculating rigs with 500 L sumps and copper coupon holders positioned downstream of a plate-and-frame heat exchanger demonstrated that ITC-345M at 10–25 ppm sustained a corrosion inhibition efficiency above 97% even when the orthophosphate residual was deliberately maintained at 12 ppm as PO₄. The mercaptan group does not compete with phosphate for calcium ions under these conditions, a critical advantage for mixed-metallurgy loops containing both copper alloys and mild steel protected by phosphonate programs.
| Property | Specification | Method |
|---|---|---|
| Appearance | Pale yellow, free-flowing powder | Visual / QL-AA-101 |
| Assay (as anhydrous monosodium salt) | ≥98.5% | Potentiometric titration with AgNO₃ |
| Loss on drying (105°C, 2 h) | ≤0.8% | ASTM E1868-20 |
| pH (10% aqueous solution, 25°C) | 6.8–7.5 | ISO 4316:1977 |
| Heavy metals (as Pb) | ≤10 ppm | ICP-OES per EPA 6010D |
| Chloride (as Cl⁻) | ≤50 ppm | Ion chromatography / ISO 10304-1 |
| Water solubility at 20°C | >250 g/L | OECD TG 105 flask method |
| Typical bulk density (tapped) | 0.65–0.75 g/cm³ | ASTM D7481-18 |
The low chloride specification (≤50 ppm) is especially significant for applications involving brass components susceptible to dezincification. In a long-term immersion test based on ISO 6509-1:2014, admiralty brass (CuZn30As) coupons exposed to 100 ppm ITC-345M in 3.5% artificial seawater at 40°C showed a maximum dezincification depth of 12 µm after 30 days, versus 58 µm in the uninhibited control and 35 µm for a competitor’s water-soluble mercaptobenzothiazole sodium salt of comparable purity. This aligns with the influence of residual chloride on the rate of selective zinc dissolution; ITC-345M’s salt form avoids the chloride counter-ion present in many amine-neutralized inhibitor variants.
The product is supplied in 25 kg PE-lined fiber drums. Long-term storage stability testing at 40°C / 75% RH for 12 weeks (simulated tropical warehouse conditions per ICH Q1A guidelines) showed less than 0.2% decrease in thiol titer when the drum remained sealed; however, once opened, the hygroscopic powder should be transferred to a desiccated intermediate container if relative humidity exceeds 60%, to avoid caking that does not compromise chemical potency but impedes automatic powder dosing on loss-in-weight feeders.Water-dilutable cutting and grinding fluid concentrates formulated at 5–10% inhibitor active often encounter hard water micro-droplet zones in the mixing manifold, where local calcium concentrations temporarily exceed 2000 ppm as CaCO₃. Triazole inhibitors under these transient conditions form visible white precipitates that clog central system fine filters (10 µm absolute rating) and starve the fluid of active copper protection. ITC-345M, by virtue of its monosodium salt and the ortho-positioning of the carboxylate group relative to the thiol, remains in solution even when co-present with hard water cations and anionic emulsifiers such as sodium petroleum sulfonate. A field trial on a 15,000 L central coolant system serving 12 CNC machining centers, processing C36000 free-cutting brass at a sump turnover time of 8 h, documented filter pressure drop stability at 0.25–0.30 bar over a 90-day evaluation at 15 ppm ITC-345M, while a preceding run with TTA at 20 ppm required weekly filter basket cleaning due to rising Δp above 0.7 bar.
Copper passivation performance under sliding friction conditions can be assessed using a block-on-ring configuration adapted from ASTM G77-17 (modified for fluid film lubrication). With 100N load, 300 rpm, and a 5% v/v fluid emulsion in 300 ppm hard water, the coefficient of friction stabilized within 30 minutes at the same value as uninhibited fluid, confirming that the adsorbed mercaptan film does not generate a friction-enhancing boundary layer. At an operating temperature of 55°C, copper coupons removed from the bath after 48 h exhibited a uniform pale-gold tarnish and a weight loss corresponding to 0.06 mpy; the same fluid without inhibitor yielded heavy reddish-brown stains and 0.52 mpy under identical conditions. No antagonism was observed with commonly added extreme pressure additives (sulfurized isobutylene, chlorinated paraffin) at up to 5% additive treat rate.
| Parameter | ITC-345M (20 ppm active) | Benzotriazole (30 ppm active) | MBT-Na (25 ppm active) | Test Method |
|---|---|---|---|---|
| Copper corrosion rate in synthetic cooling water (mpy) | 0.07 | 0.29 | 0.18 | ASTM D1384-05, 48 h, 50°C |
| Cu-Zn galvanic current in 3% NaCl (µA/cm²) | 2.1 | 6.8 | 5.3 | Zero-resistance ammeter per ISO 18086:2015 |
| Precipitate after 24 h in 800 ppm Ca²⁺ brine | None (clear solution) | Moderate white haze | Slight turbidity | Visual + turbidimetry |
| Film persistence after 7-day distilled water rinse | 92% efficiency retained | 53% efficiency retained | 68% efficiency retained | Consecutive LPR cycles, ASTM G96-90(2018) |
| Compatibility with isothiazolinone biocide (CIT/MIT) | No degradation per HPLC | No effect | Partial thiol oxidation | Co-incubation at 40°C, 14 days |
Electroless copper deposition processes operating at pH 12.5–13.0 require chelators that stabilize Cu²⁺ against hydroxide precipitation while not interfering with the formaldehyde-based reduction at the catalytic surface. EDTA and quadrol are industry standards, but they can over-stabilize copper, requiring high formaldehyde-to-copper ratios and generating excessive hydrogen gas. ITC-345M functions as a mild, sulfur-nitrogen bidentate ligand: the thiolate sulfur and the hydroxyl oxygen on the isothiazole ring coordinate Cu²⁺ with a formation constant log K ≈ 8.5 – significantly lower than EDTA (log K ≈ 18.8) but sufficient to prevent bulk precipitation at operating temperatures up to 70°C. In a pilot electroless bath (200 L) with a CuSO₄·5H₂O load of 10 g/L, the partial substitution of EDTA by 2 g/L ITC-345M lowered the deposition initiation time on FR-4 printed circuit board substrate from 22 s to 14 s (measured by four-point resistance threshold) while maintaining a deposit thickness uniformity of ±1.2 µm across a 45 cm panel. The thiol group does not foul the palladium-tin activator layer, a known failure mode with certain organosulfur stabilizers that poison the catalytic seed. Bath life instability due to Cannizzaro by-products was unchanged relative to the EDTA baseline, as ITC-345M is not a hydrogen acceptor under alkaline reducing conditions.
Application in semiconductor post-CMP cleaning requires virtually zero metal residue. A 0.2% ITC-345M solution adjusted to pH 7.2 with TMAH was evaluated as a post-copper CMP brush scrub formulation on 300 mm patterned wafers with 40 nm half-pitch interconnects. TXRF analysis after cleaning and a DI water rinse showed surface copper contamination of 2.3 × 10¹¹ atoms/cm², below the ITRS leakage current limit for the 28 nm node. In contrast, a benzotriazole-based cleaner left typical residues of 8 × 10¹¹ atoms/cm² due to BTA’s lower volatility and tendency to form a copper-BTA polymer film not fully removed by short rinse times. Published data for this specific application with ITC-345M are limited to single-wafer tool evaluations, and long-term defectivity data on production-scale brush scrubbers operating at throughputs above 200 wafers per hour have not yet been reported. Users are advised to verify removal efficiency using on-tool XRF and to control rinse water dissolved oxygen below 50 ppb to prevent oxidative re-contamination of the cleaned copper surface.