3-Chloro-4-fluorophenyl isocyanate
Properties
- Molecular formula
- C7H3ClFNO
- Molar mass
- 171.56 g/mol
- Exact mass
- 170.9887 Da
- logP
- 2.45Crippen estimate
- Polar surface area
- 29.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowed11.4% of notifiers
- H302 Harmful if swallowed88.6% of notifiers
- H312 Harmful in contact with skin88.6% of notifiers
- H315 Causes skin irritation97.7% of notifiers
- H319 Causes serious eye irritation97.7% of notifiers
- H332 Harmful if inhaled88.6% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled13.6% of notifiers
- H335 May cause respiratory irritation97.7% 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+P316, 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
50529-33-4SMILES
C1=CC(=C(C=C1N=C=O)Cl)FInChIKey
XVIPJBUXMFLHSI-UHFFFAOYSA-NInChI
InChI=1S/C7H3ClFNO/c8-6-3-5(10-4-11)1-2-7(6)9/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-Chloro-4-fluorophenyl isocyanate
Similar compounds
3,4-Difluorophenyl isocyanate42601-04-770 % similar
3,4-Dichlorophenyl isocyanate102-36-367 % similar
2-Chloro-1-fluoro-4-isothiocyanatobenzene137724-66-467 % similar
3-Chloro-4-methylphenyl isocyanate28479-22-359 % similar
4-Fluoro-3-(trifluoromethyl)phenyl isocyanate139057-86-658 % similar
3-Fluoro-4-methylphenyl isocyanate102561-42-257 % similar
4-Chloro-3-(trifluoromethyl)phenyl isocyanate327-78-654 % similar
3-Fluorophenyl isocyanate404-71-752 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.