2-(4-Chlorophenethyl) isothicyanate
Properties
- Molecular formula
- C9H8ClNS
- Molar mass
- 197.68 g/mol
- Exact mass
- 197.0066 Da
- logP
- 2.99Crippen estimate
- Polar surface area
- 12.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Hazards
Danger
- H302 Harmful if swallowed97.7% of notifiers
- H312 Harmful in contact with skin97.7% of notifiers
- H315 Causes skin irritation90.9% of notifiers
- H319 Causes serious eye irritation90.9% of notifiers
- H332 Harmful if inhaled97.7% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled88.6% of notifiers
- H335 May cause respiratory irritation90.9% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501
Identifiers
CAS number
17608-10-5SMILES
C1=CC(=CC=C1CCN=C=S)ClInChIKey
MRJJYUJULSZFDV-UHFFFAOYSA-NInChI
InChI=1S/C9H8ClNS/c10-9-3-1-8(2-4-9)5-6-11-7-12/h1-4H,5-6H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 2-(4-Chlorophenyl)ethyl isothiocyanate
Work with 2-(4-Chlorophenethyl) isothicyanate
Similar compounds
1-Chloro-4-(isothiocyanatomethyl)benzene3694-45-969 % similar
Phenethyl isothiocyanate2257-09-262 % similar
3,4-Dimethoxyphenethyl isothiocyanate21714-25-050 % similar
3-Phenylpropyl isothiocyanate2627-27-250 % similar
1-Chloro-3-(isothiocyanatomethyl)benzene3694-58-449 % similar
4-Chlorophenyl isothiocyanate2131-55-748 % similar
2-(4-Chlorophenyl)ethylamine156-41-247 % similar
4-Chlorobenzeneethanol1875-88-342 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.