Bromoacetonitrile

C2H2BrNCAS 590-17-0119.95 g/mol

NBr
Alkyl halideNitrile

Properties

Molecular formula
C2H2BrN
Molar mass
119.95 g/mol
Exact mass
118.9371 Da
Density
1.722 g/mL
Boiling point
60–62 °C (at 24 Torr)
Flash point
93.3 °C
Water solubility
50–100 g/L (21.5 °C)
logP
0.90Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 53 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number
590-17-0
SMILES
N#CCBr
InChIKey
REXUYBKPWIPONM-UHFFFAOYSA-N
InChI
InChI=1S/C2H2BrN/c3-1-2-4/h1H2

Weigh it out

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

Names and synonyms

5 names
  • Acetonitrile, 2-bromo-
  • Acetonitrile, bromo-
  • 2-Bromoacetonitrile
  • Bromomethyl cyanide
  • Cyanomethyl bromide

Work with Bromoacetonitrile

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue.

Elsewhere