2,5-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
- H314 Causes severe skin burns and eye damage100% of notifiers
- H318 Causes serious eye damage97.5% of notifiers
Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501
Identifiers
CAS number
3386-42-3SMILES
C1=CC(=C(C=C1Cl)N=C=S)ClInChIKey
JHTPBGFVWWSHDL-UHFFFAOYSA-NInChI
InChI=1S/C7H3Cl2NS/c8-5-1-2-6(9)7(3-5)10-4-11/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with 2,5-Dichlorophenyl isothiocyanate
Similar compounds
4-Chloro-2-isothiocyanato-1-methylbenzene19241-36-264 % similar
2-Chlorophenyl isothiocyanate2740-81-063 % similar
2,5-Dichlorophenyl isocyanate5392-82-563 % similar
1,2,4-Trichloro-5-isothiocyanatobenzene23165-46-060 % similar
4-Chloro-1-isothiocyanato-2-methylbenzene23165-53-959 % similar
1-Chloro-2-isothiocyanato-4-(trifluoromethyl)benzene23165-49-358 % similar
5-Chloro-2-methoxyphenyl isothiocyanate63429-99-258 % similar
2,3,4-Trichlorophenyl isothiocyanate127142-69-255 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.