Bromoacetonitrile
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
- H301 Toxic if swallowed100% of notifiers
- H311 Toxic in contact with skin98.1% of notifiers
- H314 Causes severe skin burns and eye damage11.3% of notifiers
- H315 Causes skin irritation79.2% of notifiers
- H319 Causes serious eye irritation83% of notifiers
- H330 Fatal if inhaled11.3% of notifiers
- H331 Toxic if inhaled88.7% of notifiers
- H335 May cause respiratory irritation79.2% of notifiers
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
590-17-0SMILES
N#CCBrInChIKey
REXUYBKPWIPONM-UHFFFAOYSA-NInChI
InChI=1S/C2H2BrN/c3-1-2-4/h1H2Weigh 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
3-Bromopropionitrile2417-90-544 % similar
Malononitrile109-77-340 % similar
Succinonitrile110-61-240 % similar
4-Bromobutyronitrile5332-06-940 % similar
5-Bromovaleronitrile5414-21-138 % similar
7-Bromoheptanenitrile20965-27-936 % similar
6-Bromohexanenitrile6621-59-636 % similar
Adiponitrile111-69-335 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.