2-Fluoro-5-(trifluoromethyl)phenyl isocyanate
Properties
- Molecular formula
- C8H3F4NO
- Molar mass
- 205.11 g/mol
- Exact mass
- 205.0151 Da
- logP
- 2.81Crippen estimate
- Polar surface area
- 29.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed97.7% of notifiers
- H312 Harmful in contact with skin88.6% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled88.6% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled11.4% of notifiers
- H335 May cause respiratory irritation100% 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
69922-27-6SMILES
C1=CC(=C(C=C1C(F)(F)F)N=C=O)FInChIKey
NAIKHCBDZGSGHH-UHFFFAOYSA-NInChI
InChI=1S/C8H3F4NO/c9-6-2-1-5(8(10,11)12)3-7(6)13-4-14/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with 2-Fluoro-5-(trifluoromethyl)phenyl isocyanate
Similar compounds
1-Chloro-2-isocyanato-4-(trifluoromethyl)benzene50528-86-465 % similar
1,4-Difluoro-2-isocyanatobenzene39718-32-660 % similar
2-Fluoro-5-methylphenyl isocyanate190774-50-657 % similar
4-(Trifluoromethyl)phenyl isocyanate1548-13-654 % similar
3-(Trifluoromethyl)phenyl isocyanate329-01-154 % similar
1,2-Difluoro-4-(trifluoromethyl)benzene32137-19-252 % similar
2-Fluorophenyl isocyanate16744-98-251 % similar
3,5-Bis(trifluoromethyl)phenyl isocyanate16588-74-250 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.