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

HCID 117746CAS 26172-54-3

기본 정보

표준 SMILES
Cl.Cn1sccc1=O
InChIKey
SJXPQSRCFCPWQQ-UHFFFAOYSA-N
분자식
C4H6ClNOS
평균 분자량
151.62 g/mol
단동위원소 질량
150.9858627

이름 및 식별자

우선 이름
2-Methyl-4-isothiazolin-3-one hydrochloride
IUPAC
2-methyl-1,2-thiazol-3-one;hydrochloride

이름 및 동의어

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)
이름 더 보기
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

데이터베이스 식별자

CAS
26172-54-3
PubChem CID
117746
DTXSID
DTXSID1040740
ChEMBL
CHEMBL1438592
UNII
3G9PNZ5P41
EC Number
247-499-3

물성

구조 계산 물성

극성 표면적
45.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
8

실험 및 물리화학적 성질

Solubility18.4 [ug/mL] (The mean of the results at pH 7.4)

안전 및 규제

GHS 분류

GHS Classification · 6건

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.

유해성 정보

Regulatory Information · 3건

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 · 1건

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 · 2건

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

규제 정보

Regulatory Information · 3건

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.

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

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)

용도 및 제조

General Manufacturing Information3(2H)-Isothiazolone, 2-methyl-, hydrochloride (1:1): ACTIVE

관련 반응

3건

연결된 노트

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