1,4-Difluoro-2-isocyanatobenzene

C7H3F2NOCAS 39718-32-6155.10 g/mol

ONFF
Aryl halideIsocyanate

Properties

Molecular formula
C7H3F2NO
Molar mass
155.10 g/mol
Exact mass
155.0183 Da
Boiling point
52–54 °C (at 14 Torr)
logP
1.93Crippen 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 46 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, P280, P284, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
39718-32-6
SMILES
O=C=Nc1cc(F)ccc1F
InChIKey
SNHIIFOXCRYGGY-UHFFFAOYSA-N
InChI
InChI=1S/C7H3F2NO/c8-5-1-2-6(9)7(3-5)10-4-11/h1-3H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names
  • Benzene, 1,4-difluoro-2-isocyanato-
  • 2,5-Difluorophenyl isocyanate

Work with 1,4-Difluoro-2-isocyanatobenzene

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue.

Same formula

Elsewhere