4-Bromo-3-fluorobenzonitrile

C7H3BrFNCAS 133059-44-6200.01 g/mol

NBrF
Aryl halideNitrile

Properties

Molecular formula
C7H3BrFN
Molar mass
200.01 g/mol
Exact mass
198.9433 Da
logP
2.46Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
133059-44-6
SMILES
N#Cc1ccc(Br)c(F)c1
InChIKey
QBKXYSXQKRNVRQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H3BrFN/c8-6-2-1-5(4-10)3-7(6)9/h1-3H

Weigh it out

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

Names and synonyms

2 names
  • Benzonitrile, 4-bromo-3-fluoro-
  • 3-Fluoro-4-bromobenzonitrile

Work with 4-Bromo-3-fluorobenzonitrile

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue.

Same formula

Elsewhere