2-Chloroethyl isothiocyanate
Properties
- Molecular formula
- C3H4ClNS
- Molar mass
- 121.58 g/mol
- Exact mass
- 120.9753 Da
- logP
- 1.33Crippen estimate
- Polar surface area
- 12.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H226 Flammable liquid and vapor91.3% of notifiers
- H302 Harmful if swallowed97.8% of notifiers
- H312 Harmful in contact with skin97.8% of notifiers
- H315 Causes skin irritation91.3% of notifiers
- H319 Causes serious eye irritation91.3% of notifiers
- H332 Harmful if inhaled97.8% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled89.1% of notifiers
- H335 May cause respiratory irritation91.3% of notifiers
Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
6099-88-3SMILES
C(CCl)N=C=SInChIKey
ZUWFBQUHBOUPFK-UHFFFAOYSA-NInChI
InChI=1S/C3H4ClNS/c4-1-2-5-3-6/h1-2H2Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 2-Chloroethyl isothiocyanate
Similar compounds
1,4-Diisothiocyanatobutane4430-51-755 % similar
2-Chloroethyl isocyanate1943-83-548 % similar
Propyl isothiocyanate628-30-848 % similar
3-Bromopropyl isothiocyanate2799-73-744 % similar
Butyl isothiocyanate592-82-544 % similar
1-Isothiocyanato-2-methoxyethane38663-85-342 % similar
Pentyl isothiocyanate629-12-942 % similar
Dodecyl isothiocyanate1072-32-841 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.