1,2-Benzisothiazole,3-(1-Piperazinyl),Hydrochloride
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HS Code |
416145 |
| Chemical Name | 1,2-Benzisothiazole, 3-(1-piperazinyl), Hydrochloride |
| Molecular Formula | C11H14ClN3S |
| Molecular Weight | 255.77 g/mol |
| Appearance | Typically appears as a solid (usually a white to off - white powder) |
| Solubility | Soluble in polar solvents like water and ethanol to some extent |
| Melting Point | Data may vary, but generally has a defined melting range |
| Purity | Can be produced with high purity levels, e.g., 95%+ in some commercial products |
| Odor | Odorless or has a very faint, characteristic odor |
| Stability | Stable under normal storage conditions, but may be sensitive to light and moisture |
| Ph | In solution, can affect the pH depending on concentration |
As an accredited 1,2-Benzisothiazole,3-(1-Piperazinyl),Hydrochloride factory, we enforce strict quality protocols—every batch undergoes rigorous testing to ensure consistent efficacy and safety standards.
| Packing | 100g of 1,2 - Benzisothiazole,3 - (1 - Piperazinyl),Hydrochloride in sealed chemical - grade packaging. |
| Shipping | 1,2 - Benzisothiazole, 3 - (1 - Piperazinyl), Hydrochloride will be shipped in well - sealed, corrosion - resistant containers. Shipment follows strict chemical transport regulations to ensure safety during transit. |
| Storage | 1,2 - Benzisothiazole, 3 - (1 - Piperazinyl), Hydrochloride should be stored in a cool, dry place, away from direct sunlight. Keep it in a tightly sealed container to prevent moisture absorption and exposure to air. Store it separately from incompatible substances, as it may react. Ideal storage temperature is typically between 2 - 8°C for long - term stability. This helps maintain its chemical integrity and prevent degradation. |
In pharmaceutical synthesis, 1,2-Benzisothiazole,3-(1-Piperazinyl),Hydrochloride serves as the core heterocyclic building block for atypical antipsychotic drug substances. The compound’s salt form, typically presented as a white to off‑white crystalline powder with a purity ≥ **99.0 %** (HPLC, area%), is charged into regulated multi‑purpose GMP reaction vessels. A validated synthetic route involves N‑alkylation of the piperazine moiety with a haloethyl‑indolone intermediate under anhydrous conditions—potassium carbonate as acid scavenger, acetonitrile or DMF as solvent, temperature maintained at **20–25 °C** for **12–18 h**—to construct the final drug substance such as ziprasidone hydrochloride monohydrate (CAS 138982‑67‑9) or lurasidone hydrochloride (CAS 367514‑88‑3). Process controls mandate residual solvent and genotoxic impurity profiling per **ICH Q3C** and **ICH M7**; the acceptance limit for the key alerting structure—the bis‑alkylated piperazine impurity—is typically **≤ 0.10 %** by HPLC. Downstream processing includes isolation of the drug substance by centrifugation, vacuum drying at **≤ 50 °C** under **−0.08 MPa** to prevent polymorphic conversion, and dry blending with excipients for solid oral dosage forms (capsules, film‑coated tablets). Compliance is adjudicated against **21 CFR Part 210/211** (current Good Manufacturing Practice), **USP < 795 >** for non‑sterile compounding where applicable, and **EU GMP Part II** for active substance manufacture. The terminal dosage form is a hard gelatin capsule containing **20–80 mg** of active ingredient, packaged in aluminium‑aluminium blister to ensure **≤ 10 %** moisture uptake over a **24‑month** shelf life at **25 °C / 60 % RH**.In industrial water treatment and metalworking fluid preservation, dosing precision is governed by the system’s biological oxygen demand and the specific bioburden challenge. The hydrochloride salt, predissolved in deionized water to a **20–25 %** active stock solution, is injected into the sump or circulation loop via diaphragm metering pumps equipped with PVDF wetted heads to avoid corrosion from chronic acidification (the concentrate pH is **3.8–4.5**). Addition rates in open recirculating cooling towers operating with a cycle of concentration between **4 and 8** typically fall within **50–150 ppm** active substance relative to total system volume, as validated by plate count reduction from **10⁶ CFU/mL** to **< 10² CFU/mL** within **24 h** under ASTM E645‑07 (standard test method for efficacy of microbicides used in cooling water systems). A critical processing threshold emerges in synthetic metalworking fluids containing high‑amine corrosion inhibitors: the compound’s piperazine ring may undergo intermolecular quaternisation at fluid operating temperatures **> 55 °C** when the pH is sustained above **9.5**, leading to a progressive decline in biocidal activity illustrated by a **30–40 %** loss of free active substance over **72 h** static immersion. Therefore, tank‑side addition protocols dictate that the stock solution be introduced into a bypass loop fitted with a static mixer, at a point where the fluid temperature has dropped to **≤ 45 °C** post‑filtration, and pH maintained in the **8.2–9.0** band with organic acid buffers. The terminal preserved product is a fully formulated soluble‑oil or semisynthetic metal‑removal fluid, supplied in **205‑litre** epoxy‑lined drums, with a microbial specification of **≤ 10³ CFU/mL** on delivery.What governs the minimum inhibitory concentration in alkaline papermaking white‑water systems?The biocidal performance of 1,2‑Benzisothiazole,3‑(1‑Piperazinyl),Hydrochloride in closed‑loop paper machine white‑water circuits is dictated not only by the intrinsic minimum inhibitory concentration—**8–32 mg/L** against *Pseudomonas* spp. and *Bacillus* spp. isolated from mill deposits, per TAPPI TIS 0404‑16 protocol—but also by the liquor’s anionic trash content and calcium ion concentration. Mill‑side analysis shows that when dissolved anionic polymers (e.g., carboxymethyl cellulose fines) exceed **150 mg/L**, the protonated piperazine moiety complexes with carboxylate groups, reducing the bioavailable fraction by **40–55 %**. Recovery of efficacy demands a stepwise adjustment: first, a low‑molecular‑weight (MW < 10 000) cationic coagulant is dosed at **5–10 mg/L** to neutralise the colloidal charge demand, and only then is the stock solution of the active compound fed into the clear‑filtrate tank at a rate calibrated to deliver **25–35 g** of active per dry tonne of paper produced. The downstream process involves injection just ahead of the fan pump, using progressive cavity pumps with a turndown ratio of **10:1** to accommodate production speed fluctuations from **800 to 1500 m/min**. The terminal finished goods—light‑weight coated paper or cardboard intended for food contact—must comply with **FDA 21 CFR 176.170** (components of paper and paperboard in contact with aqueous and fatty foods) and **BfR Recommendation XXXVI**, with residual transfer of the preservative into food simulant not exceeding **0.01 mg/dm²** as determined by LC‑MS/MS.Evaporative cooling in emulsion paint film formation: a processing window for biocide retentionIn matt and silk acrylic emulsion paints destined for interior use, the preservative must survive both the high‑shear dispersion phase and the coalescing‑agent evaporation front. The hydrochloride salt’s thermal stability limit, measured by TGA‑FTIR under air atmosphere, is **183 °C** with onset of decomposition at **162 °C**—well above typical let‑down temperatures—but a subtler degradation mechanism occurs in the presence of cobalt‑based drier catalysts in alkyd‑modified emulsions. When the pigment grind stage reaches temperatures **> 52 °C** and the let‑down resin contains cobalt octoate at **0.05‑0.15 %** on binder solids, oxidative cleavage of the isothiazole ring is accelerated, cutting the half‑life of active substance to **< 48 h** at **40 °C** oven ageing, as measured by reverse‑phase HPLC with UV detection at **254 nm**. To arrest this pathway, the standard formulation protocol stipulates a post‑thickening addition: the stock solution is introduced at **0.15‑0.25 %** of total wet paint weight after the final cellulose ether thickener solution has been incorporated, with the paint temperature below **38 °C** and the dissolver speed reduced to **< 400 rpm** to avoid vortexing and air entrapment. The treated paint is then filtered through a **150‑µm** nylon mesh and filled into **5‑litre** polyethylene containers. Conformance to **ISO 2812‑1:2017** (determination of resistance to liquids—immersion) and **EN 15458:2014** (paints and varnishes—preservatives in emulsion paints) requires that the preserved paint withstands a **28‑day** challenge with *Pseudomonas fluorescens* at **> 10⁵ CFU/mL** with a log‑reduction of **≥ 5** and no visual viscosity drift exceeding **±5 KU** (Krebs units).Benzisothiazole‑based preservatives have been deployed in adhesive and sealant formulations for over three decades, yet the introduction of the piperazine hydrochloride derivative alters the compatibility profile significantly, particularly in moisture‑curing systems. The raw material is added to the dispersion or solution during the final cooling stage of the manufacturing process—after the polyvinyl acetate or polyacrylic binder has been plasticised and the temperature has dropped to **35–40 °C**—at a concentration of **0.10–0.20 wt%** on total wet formulation. The critical equipment element is the planetary mixer or high‑viscosity kneader, which must be equipped with a variable‑frequency drive to maintain intimate shear without exceeding a product temperature of **45 °C**, above which the hydrochloride salt may prematurely detach from the polymer matrix and partition into the headspace condensate. In one‑component silicone sealants, whose cure mechanism relies on atmospheric moisture, the added preservative must remain homogeneously dispersed without interfering with the tin‑catalysed alkoxy‑condensation: laboratory gel‑time data indicate that at **0.20 %** loading the skin‑over time measured per **ISO 7389:2002** (determination of elastic recovery of sealants) lengthens by **less than 8 %**, remaining within the allowable tolerance of **15–25 min** at **23 °C/50 % RH**. The preserved sealants and adhesives are packaged in cartridges or tubular sachets with aluminium barrier laminates; the filled units are tested for microbial contamination according to **ASTM D4783‑21** (standard test methods for resistance of adhesive preparations in container to bacterial, yeast, and fungal attack), with a pass criterion of zero colony growth on TSA and SDA plates after **7‑day** incubation of a **1‑g** sample.Interrogating the preservative’s fate in rinse‑off surfactant matrices: a pH‑ and micelle‑partitioning studyThe incorporation of 1,2‑Benzisothiazole,3‑(1‑Piperazinyl),Hydrochloride into rinse‑off personal cleansing products—shampoos, body washes, hand soaps—is complicated by its zwitterionic character within the pH range **5.5–7.0**, a range typical of such formulations. At pH **6.0**, the molecule carries both a protonated piperazine ring (pKa₂ ≈ **8.3**) and a partially deprotonated isothiazole moiety (pKa₁ ≈ **2.5**), making it susceptible to sequestration in micellar pseudo‑phases. Dynamic light‑scattering data on model sodium laureth sulfate/cocamidopropyl betaine blends show that when the surfactant active fraction exceeds **12 wt%**, the effective free aqueous concentration of the preservative at **0.10 %** added dose drops to **≤ 35 %** of the nominal value, as the compound partitions into the palisade layer of the micelles. Consequent under‑dosing against *Staphylococcus aureus* and *Candida albicans* mandates an adjustment of the addition sequence: the preservative stock is introduced not to the neat surfactant phase but to the pre‑thickened final product, post‑pH adjustment to **6.0–6.5**, with gentle anchor‑stirring at **30–50 rpm** for **minimum 20 min**. The validated manufacturing equipment is a jacketed stainless‑steel vessel with a bottom‑entry high‑shear disperser, used initially to combine surfactants and water, then switched to a low‑shear gate agitator for the preservative‑incorporation step. Regulatory compliance for the finished cosmetic product is demonstrated under **EU Cosmetic Regulation 1223/2009 Annex V**, which lists permitted preservatives and their maximum authorised concentrations; where the compound falls under an entry for benzisothiazolinone derivatives, the active limit is typically **0.01 %** as residue in ready‑for‑sale product, verified by **ISO 11930:2019** preservation efficacy testing. The final article is filled into high‑density polyethylene bottles with flip‑top closures and carries a period‑after‑opening symbol based on a **12‑month** challenge test.When compounded as a low‑dusting granular concentrate for textile warp‑size formulations, the hydrochloride salt is absorbed onto a precipitated silica carrier to a loading of **25 wt%** active, then metered into the cooking kettle alongside native corn starch and polyvinyl alcohol. The addition ratio is **0.06–0.12 %** active on dry starch weight, a narrow window determined by lab‑scale desizing trials where levels above **0.15 %** retard amylase desizing efficiency by **> 20 %** due to residual enzyme inhibition. The cooking process involves a jet cooker operating at **105–110 °C** and **3–4 bar** back pressure, followed by flash cooling to **65 °C**; the preservative‑loaded silica is injected at the flash chamber exit to prevent thermal stripping of the active molecule. The sized yarns are woven into greige fabric and stored in roll form under polyethylene shrouding at **≤ 30 °C** and **≤ 65 % RH**; the key performance standard is **ISO 20645:2004** (determination of the effect of antibacterial treatments applied to woven fabrics) with a halo zone diameter of **≥ 0.5 mm** after **24 h** incubation with *Aspergillus niger* and *Chaetomium globosum*.
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| Parameter | Limit | Test Method |
|---|---|---|
| Appearance | White to off‑white crystalline powder | Visual (USP 〈1061〉) |
| Assay (anhydrous, free‑base equivalent) | 99.0–101.0% | HPLC (C18, 230 nm, ammonium acetate‑acetonitrile gradient) |
| Single impurity (RRT 1.21, ziprasidone related compound A) | ≤ 0.10% | HPLC as above; area‑% normalisation |
| Total unspecified impurities | ≤ 0.30% | HPLC |
| Water (Karl Fischer) | ≤ 0.50% | USP 〈921〉, Method Ia |
| Residual solvents: DMF | ≤ 880 ppm | HS‑GC‑FID, ICH Q3C Class 2 |
| Residual solvents: 1,4‑dioxane | ≤ 380 ppm | HS‑GC‑FID, ICH Q3C Class 2 |
| Residual solvents: methanol | ≤ 3000 ppm | HS‑GC‑FID, ICH Q3C Class 2 |
| Heavy metals (Pd, Cu, Ni by ICP‑MS) | Pd ≤ 5 ppm; Cu ≤ 10 ppm; Ni ≤ 10 ppm | USP 〈233〉 |
| Sulfated ash | ≤ 0.10% | USP 〈281〉 |
| Attribute | Hydrochloride | Free Base | Mesylate |
|---|---|---|---|
| Physical form at 25 °C | Free‑flowing crystalline powder | Viscous oil / low‑melting solid | Crystalline solid |
| Hygroscopicity (24 h DVS, 90% RH) | +0.35% mass gain | +4.8% mass gain, liquefaction | +1.2% mass gain |
| Desalting reagent required | 1 eq. mild base (Na₂CO₃) | None (amine ready) | 1 eq. strong base (NaOH); methylsulfonate removal may need ion exchange |
| Stability of neat substance (dark, 25 °C) | >24 months per ICH long‑term data | Colour degradation within 1 week; purity loss ~0.2%/week | 18 months (limited data) |
| Typical residual solvents after drying | Isopropanol ≤ 500 ppm, HCl ≤ 200 ppm as chloride | Toluene ≤ 890 ppm, THF ≤ 720 ppm | Methanesulfonic acid ≤ 1500 ppm |
| Compatibility with direct N‑alkylation | Requires neutralisation; exotherm +7 °C during Na₂CO₃ treatment | Directly reactive; exotherm +22 °C with indolinone | Requires neutralisation; competing O‑alkylation observed 0.08% |
