2,3-Dichlorophenyl isothiocyanate
Properties
- Molecular formula
- C7H3Cl2NS
- Molar mass
- 204.07 g/mol
- Exact mass
- 202.9363 Da
- logP
- 3.73Crippen estimate
- Polar surface area
- 12.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed13.3% of notifiers
- H312 Harmful in contact with skin11.1% of notifiers
- H314 Causes severe skin burns and eye damage97.8% of notifiers
- H318 Causes serious eye damage88.9% of notifiers
- H332 Harmful if inhaled13.3% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501
Identifiers
CAS number
6590-97-2SMILES
C1=CC(=C(C(=C1)Cl)Cl)N=C=SInChIKey
RQZIODPVCCTBAQ-UHFFFAOYSA-NInChI
InChI=1S/C7H3Cl2NS/c8-5-2-1-3-6(7(5)9)10-4-11/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with 2,3-Dichlorophenyl isothiocyanate
Similar compounds
2,3,4-Trichlorophenyl isothiocyanate127142-69-272 % similar
2-Chlorophenyl isothiocyanate2740-81-071 % similar
3-Chloro-o-tolyl isothiocyanate19241-35-163 % similar
2,3-Dichlorophenyl isocyanate41195-90-861 % similar
1,2,4-Trichloro-5-isothiocyanatobenzene23165-46-057 % similar
2,3,5,6-Tetrachlorophenyl isothiocyanate22133-95-555 % similar
2-Chloro-6-methylphenyl isothiocyanate19241-34-049 % similar
1-Naphthyl isothiocyanate551-06-448 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.