2-Methyl-4-isothiazolin-3-one hydrochloride 分子结构式
HCID117746

2-Methyl-4-isothiazolin-3-one hydrochloride

2-methyl-1,2-thiazol-3-one;hydrochloride

C4H6ClNOS151.62 g/molCAS 26172-54-3

IDENTITY

结构与身份

标准SMILES
Cl.Cn1sccc1=O
InChIKey
SJXPQSRCFCPWQQ-UHFFFAOYSA-N
分子式
C4H6ClNOS
平均分子量
151.62 g/mol
单同位素质量
150.9858627

COMPUTED

结构计算性质

已同步
极性表面积
45.6 Ų
氢键供体
1
氢键受体
2
可旋转键
0
重原子
8
形式电荷
0
复杂度
121

PROPERTIES

实验与物化性质

来源:PubChem
Solubility

18.4 [ug/mL] (The mean of the results at pH 7.4)

GHS

GHS分类

来源:PubChem
GHS Classification

Danger

H301 (67.1%): Toxic if swallowed [Danger Acute toxicity, oral];H310+H330 (61.2%): Fatal in contact with skin or if inhaled [Danger Acute toxicity, dermal; acute toxicity, inhalation];H310 (61.2%): Fatal in contact with skin [Danger Acute toxicity, dermal];H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin];H318 (67.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H330 (61.2%): Fatal if inhaled [Danger Acute toxicity, inhalation];H334 (32.9%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory];H400 (66.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (67.1%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P233, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P333+P317, P342+P316, P361+P364, P362+P364, P363, P391, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 170 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源:PubChem
Regulatory Information

Chemical: 3(2H)-Isothiazolone, 2-methyl-, hydrochloride

Status: Active Update: 24-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23630

3(2H)-Isothiazolone, 2-methyl-, hydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety Information

IMAP assessments - 3(2H)-Isothiazolone, 2-methyl-, hydrochloride: Human health tier II assessment;IMAP assessments - Isothiazolinones: Human health tier III assessment;IMAP assessments - Methylisothiazolinone preservatives and industrial biocides: Environment tier II assessment

Hazard Classes and Categories

Acute Tox. 3 (67.1%);Acute Tox. 2 (61.2%);Skin Corr. 1A (100%);Skin Sens. 1 (100%);Eye Dam. 1 (67.1%);Acute Tox. 2 (61.2%);Resp. Sens. 1 (32.9%);Aquatic Acute 1 (66.5%);Aquatic Chronic 1 (67.1%)

Acute toxicity (ingestion) - category 3;Acute toxicity (dermal) - category 3;Acute toxicity (inhalation) - category 2;Skin corrosion - category 1B;Skin sensitisation - category 1A

REGULATORY

法规信息

来源:PubChem
Regulatory Information

Chemical: 3(2H)-Isothiazolone, 2-methyl-, hydrochloride

Status: Active Update: 24-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/23630

3(2H)-Isothiazolone, 2-methyl-, hydrochloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

PHARMACOLOGY

药理信息

来源:PubChem
MeSH Pharmacological Classification

Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection.

Substances used on inanimate objects that destroy harmful microorganisms or inhibit their activity. Disinfectants are classed as complete, destroying SPORES as well as vegetative forms of microorganisms, or incomplete, destroying only vegetative forms of the organisms. They are distinguished from ANTISEPTICS, which are local anti-infective agents used on humans and other animals. (From Hawley's Condensed Chemical Dictionary, 11th ed)

USES

用途与制造

来源:PubChem
General Manufacturing Information

3(2H)-Isothiazolone, 2-methyl-, hydrochloride (1:1): ACTIVE

ALIASES

名称与别名

共 55 条
26172-54-32-Methyl-4-isothiazolin-3-one hydrochloride3(2H)-Isothiazolone, 2-methyl-, hydrochloride3G9PNZ5P41RefChem:881342-Methyl-3-isothiazolone hydrochloride2-Methylisothiazol-3(2H)-one hydrochloride3(2H)-Isothiazolone, 2-methyl-, hydrochloride (1:1)MIT hydrochlorideMethylisothiazolinone HClDTXSID1040740Methylisothiazolinone (hydrochloride)MFCD068046362-Methylisothiazol-3-one hydrochloride2-Methylisothiazol-3-one (hydrochloride)2-Methyl-4-isothiazolin-3-one HClSMR000875225UNII-3G9PNZ5P412-Methyl-3(2H)-isothiazolone Hydrochloride2-Methyl-4-isothiazolin-3-one Hydrochloride; 2-Methylisothiazol-3-one hydrochloride

REACTIONS

参与反应

3
HRID 426526 反应方程式

uspto-grants-1979_10 · 10.6084/m9.figshare.5104873.v1 · US04169949

查看
HRID 595778 反应方程式

uspto-grants-2016_01 · 10.6084/m9.figshare.5104873.v1 · US09244073B2

查看
HRID 904131 反应方程式

uspto-grants-1980_10 · 10.6084/m9.figshare.5104873.v1 · US04230704

查看