Methylchloroisothiazolinone
Properties
- Molecular formula
- C4H4ClNOS
- Molar mass
- 149.59 g/mol
- Exact mass
- 148.9702 Da
- Melting point
- 52 °C
- Water solubility
- 706–751 g/L (20 °C)
- logP
- 1.10Crippen estimate
- Polar surface area
- 22.0 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H300 Fatal if swallowed20.2% of notifiers
- H301+H311 Toxic if swallowed or in contact with skin24% of notifiers
- H301 Toxic if swallowed74.4% of notifiers
- H310 Fatal in contact with skin31.2% of notifiers
- H311 Toxic in contact with skin63.3% of notifiers
- H314 Causes severe skin burns and eye damage98.3% of notifiers
- H317 May cause an allergic skin reaction98.4% of notifiers
- H318 Causes serious eye damage64.9% of notifiers
- H330 Fatal if inhaled38.7% of notifiers
- H331 Toxic if inhaled21.4% of notifiers
- H335 May cause respiratory irritation27% of notifiers
- H400 Very toxic to aquatic life94.5% of notifiers
- H410 Very toxic to aquatic life with long lasting effects40.3% of notifiers
Aggregated from 2,393 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
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, P319, P320, P321, P330, P333+P317, P361+P364, P362+P364, P363, P391, P403+P233, P405, P501
Identifiers
CAS number
26172-55-4SMILES
Cn1sc(Cl)cc1=OInChIKey
DHNRXBZYEKSXIM-UHFFFAOYSA-NInChI
InChI=1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
30 names · show all
- 3(2H)-Isothiazolone, 5-chloro-2-methyl-
- 4-Isothiazolin-3-one, 5-chloro-2-methyl-
- 5-Chloro-2-methyl-3(2H)-isothiazolone
- 5-Chloro-N-methylisothiazolin-3-one
- 5-Chloro-2-methyl-3-isothiazolone
- N-Methyl-5-chloroisothiazolin-3-one
- 2-Methyl-5-chloro-3-isothiazolone
- Kathon CG 5243
- 5-Chloro-2-methyl-4-isothiazolin-3-one
- 2-Methyl-5-chloroisothiazolin-3-one
- 5-Chloro-2-methylisothiazolin-3-one
- 5-Chloro-2-methyl-2H-isothiazol-3-one
- 5-Chloro-N-methylisothiazolone
- N-Methyl-5-chloroisothiazolone
- Kathon IXE
- HS 818
- HS 818 (antiseptic)
- A 33
- A 33 (Bactericide)
- Bioace
- T 360
- CIT
- CMIT
- 5-Chloro-2-methyl-3(2H)-isothiazolinone
- 5-Chloro-2-methyl-2H-isothiazolin-3-one
- 5-Chloro-2-methyl-4-isothiazoline-3-ketone
- XL 2
- XL 2 (bactericide)
- Acticide C 1
- Kathon CJ 1
Work with Methylchloroisothiazolinone
Similar compounds
Kathon55965-84-974 % similar
2-Methyl-4-isothiazoline-3-one2682-20-439 % similar
2-Methyl-4-isothiazolin-3-one hydrochloride26172-54-335 % similar
6-Chloro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione6972-27-634 % similar
6-Chloro-3-methyl-2,4(1H,3H)-pyrimidinedione4318-56-331 % similar
5-Chloroisothiazol-3-ol25629-58-730 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.