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

HCID 117746CAS 26172-54-3

Grundinformationen

Standard-SMILES
Cl.Cn1sccc1=O
InChIKey
SJXPQSRCFCPWQQ-UHFFFAOYSA-N
Summenformel
C4H6ClNOS
Durchschnittliche Molmasse
151,62 g/mol
Monoisotopische Masse
150,9858627

Namen und Bezeichner

Bevorzugter Name
2-Methyl-4-isothiazolin-3-one hydrochloride
IUPAC
2-methyl-1,2-thiazol-3-one;hydrochloride

Namen und Synonyme

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)
Weitere Namen anzeigen
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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
45,6 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
0
Schwere Atome
8

Experimentelle und physikochemische Eigenschaften

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

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.

Gefahrenhinweise

Regulatory Information · 3 Einträge

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 · 1 Eintrag

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 · 2 Einträge

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

Regulatorische Informationen

Regulatory Information · 3 Einträge

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.

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 2 Einträge

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)

Verwendung und Herstellung

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

Zugehörige Reaktionen

3

Verknüpfte Notizen

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