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异噻唑啉酮

CAS 26172-55-4C4H4ClNOSMW 149.60主营产品

异噻唑啉酮(CAS 26172-55-4):分子式 C4H4ClNOS、分子量 149.60。

产品概览

CAS号26172-55-4
分子式C4H4ClNOS
分子量149.60
熔点54-55 °C
LogPlog Kow = 0.401 at 24 °C

技术档案

这个产品是什么

异噻唑啉酮 是一种化工化合物,登记 CAS 号为 26172-55-4,分子式 C4H4ClNOS(分子量 149.60)。

识别信息

登记 CAS 号:26172-55-4

其分子式 C4H4ClNOS 由 4 个碳、4 个氢、1 个氯、1 个氮、1 个氧、1 个硫 组成。

别名/同义词:异噻唑啉酮 · Methylchloroisothiazolinone

常见问题

异噻唑啉酮 的 CAS 号是多少?

异噻唑啉酮 的 CAS 登记号为 26172-55-4。

异噻唑啉酮 的分子式与分子量是多少?

分子式 C4H4ClNOS,分子量 149.60。

异噻唑啉酮 还有哪些别名?

别名/同义词:异噻唑啉酮、Methylchloroisothiazolinone。

PubChem 公开数据

异噻唑啉酮(CAS 26172-55-4)的独立参考数据,整理自公开化学数据库。

各数据库的登记标识

CAS Registry Number26172-55-4
PubChem CID33344
Molecular formulaC4H4ClNOS
Molecular weight148.97 g/mol
IUPAC name5-chloro-2-methyl-1,2-thiazol-3-one
InChIKeyDHNRXBZYEKSXIM-UHFFFAOYSA-N
UNII (FDA)DEL7T5QRPN
ChEBI IDCHEBI:53621

计算分子描述符

Molecular Weight149.60
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass148.9702126
Monoisotopic Mass148.9702126
Topological Polar Surface Area45.6
Heavy Atom Count8

在册的理化数值

Melting Point54-55 °C
SolubilityIn water, 706-751 g/L at 20 °C
Vapor Pressure0.018 mm Hg at 25 °C
LogPlog Kow = 0.401 at 24 °C

在册的记载用途

    CIR ingredient: MethylchloroisothiazolinoneKathon preparations are used as preservatives in cosmetics and in many industrial applications: metalworking fluids, latex paints, adhesives, glues, developing solutions, and slime control agents in paper mills. [Marks, p. 102-4] Used as a preservative in leather processing; [PMID 21938525] Exposed workers include house painters, printers, housekeepers, and machinists.

    同义词与商品名

    5-Chloro-2-methyl-4-isothiazolin-3-one; 26172-55-4; Methylchloroisothiazolinone; CMIT; 5-Chloro-2-methyl-3(2H)-isothiazolone; 5-Chloro-2-methyl-3-isothiazolone; Kathon CG 5243; 3(2H)-Isothiazolone, 5-chloro-2-methyl-; 5-chloro-N-methylisothiazolone; 5-chloro-2-methylisothiazolin-3-one; 5-chloro-n-methylisothiazolin-3-one; HS 818; n-methyl-5-chloroisothiazolone; DEL7T5QRPN; DTXSID9034286; 4-ISOTHIAZOLIN-3-ONE, 5-CHLORO-2-METHYL-

    已收录的法规名录

    Regulatory & Food ContactFDA Cumulative Estimated Daily Intake (CEDI): FCS
    FDA Inventory of Food Contact Substances Listed in 21 CFR: FCS
    CIR / INCI: Cosmetic ingredients (Methylchloroisothiazolinone) -> CIR (Cosmetic Ingredient Review)
    CIR / INCI: Preservative
    GHS notification summary1.3% (31 / 2393)

    GHS 危害分类

    GHS notification summary1.3% (31 / 2393)
    Reported hazard statementsH300 (20.2%), H301, H311 (24%), H310 (31.2%), H314 (98.3%), H317 (98.4%), H318 (64.9%), H330 (38.7%)

    This chemical does not meet GHS hazard criteria for 1.3% (31 of 2393) of reports.

    H300 (20.2%): Fatal if swallowed [Danger Acute toxicity, oral]

    公开数据库对它的描述

    Methylchloroisothiazolinone is identified by CAS 26172-55-4, molecular formula C4H4ClNOS and molecular weight 148.97 g/mol. UNII DEL7T5QRPN; ChEBI 53621; InChIKey DHNRXBZYEKSXIM-UHFFFAOYSA-N. Melting Point: 54-55 °C; Solubility: In water, 706-751 g/L at 20 °C; Vapor Pressure: 0.018 mm Hg at 25 °C.

    物理形态与操作说明

    数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。

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