2-Methyl-4-isothiazolin-3-one hydrochloride
Properties
- Molecular formula
- C4H6ClNOS
- Molar mass
- 151.61 g/mol
- Exact mass
- 150.9859 Da
- logP
- 0.87Crippen estimate
- Polar surface area
- 22.0 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed67.1% of notifiers
- H310+H330 Fatal in contact with skin or if inhaled61.2% of notifiers
- H310 Fatal in contact with skin61.2% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H317 May cause an allergic skin reaction100% of notifiers
- H318 Causes serious eye damage67.1% of notifiers
- H330 Fatal if inhaled61.2% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled32.9% of notifiers
- H400 Very toxic to aquatic life66.5% of notifiers
- H410 Very toxic to aquatic life with long lasting effects67.1% of notifiers
Aggregated from 170 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
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, P501
Identifiers
CAS number
26172-54-3SMILES
Cl.Cn1sccc1=OInChIKey
SJXPQSRCFCPWQQ-UHFFFAOYSA-NInChI
InChI=1S/C4H5NOS.ClH/c1-5-4(6)2-3-7-5;/h2-3H,1H3;1HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- 3(2H)-Isothiazolone, 2-methyl-, hydrochloride (1:1)
- 4-Isothiazolin-3-one, 2-methyl-, hydrochloride
- 3(2H)-Isothiazolone, 2-methyl-, hydrochloride
- 2-Methyl-3-isothiazolone hydrochloride
- 2-Methylisothiazol-3(2H)-one hydrochloride
Work with 2-Methyl-4-isothiazolin-3-one hydrochloride
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Kathon55965-84-959 % similar
2-n-Octyl-4-isothiazolin-3-one26530-20-137 % similar
Methylchloroisothiazolinone26172-55-435 % similar
1,2-Dihydro-1-methyl-3,6-pyridazinedione5436-01-131 % similar
1-Methyl-2(1H)-pyridinone694-85-930 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.