4-Fluorophenyl isocyanate

C7H4FNOCAS 1195-45-5137.11 g/mol

ONF
Aryl halideIsocyanate

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
Flammable (GHS02)Acute Toxic (GHS06)Irritant (GHS07)Health Hazard (GHS08)

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
1195-45-5
SMILES
O=C=Nc1ccc(F)cc1
InChIKey
DSVGFKBFFICWLZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H4FNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H

Weigh 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

Same formula

Elsewhere