4-Fluorophenyl isocyanate
Properties
- Molecular formula
- C7H4FNO
- Molar mass
- 137.11 g/mol
- Exact mass
- 137.0277 Da
- Boiling point
- 68 °C (at 15 Torr)
- logP
- 1.79Crippen estimate
- Polar surface area
- 29.4 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H226 Flammable liquid and vapor100% of notifiers
- H301 Toxic if swallowed14.6% of notifiers
- H302 Harmful if swallowed85.4% of notifiers
- H312 Harmful in contact with skin85.4% of notifiers
- H315 Causes skin irritation14.6% of notifiers
- H317 May cause an allergic skin reaction85.4% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H330 Fatal if inhaled10.4% of notifiers
- H332 Harmful if inhaled85.4% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled95.8% of notifiers
- H335 May cause respiratory irritation14.6% of notifiers
Aggregated from 48 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, P272, P280, P284, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
1195-45-5SMILES
O=C=Nc1ccc(F)cc1InChIKey
DSVGFKBFFICWLZ-UHFFFAOYSA-NInChI
InChI=1S/C7H4FNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Benzene, 1-fluoro-4-isocyanato-
- Isocyanic acid, p-fluorophenyl ester
- 1-Fluoro-4-isocyanatobenzene
- p-Fluorophenyl isocyanate
- p-Fluorobenzene isocyanate
- 4-Fluoroisocyanatobenzene
- NSC 82348
- 4-Fluoro-1-isocyanatobenzene
Work with 4-Fluorophenyl isocyanate
Similar compounds
p-Phenylene diisocyanate104-49-471 % similar
4-Chlorophenyl isocyanate104-12-158 % similar
Phenyl isocyanate103-71-956 % similar
Methylene diphenyl diisocyanate101-68-856 % similar
4-Fluorophenyl isothiocyanate1544-68-956 % similar
4,4′,4′′-Triphenylmethane triisocyanate2422-91-556 % similar
4-Bromophenyl isocyanate2493-02-956 % similar
Diphenylmethane diisocyanate26447-40-556 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.