3-(2-Bromoacetyl)benzonitrile
Properties
- Molecular formula
- C9H6BrNO
- Molar mass
- 224.06 g/mol
- Exact mass
- 222.9633 Da
- logP
- 2.14Crippen estimate
- Polar surface area
- 40.9 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled20% of notifiers
- H301 Toxic if swallowed60% of notifiers
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled20% of notifiers
- H302 Harmful if swallowed40% of notifiers
- H311 Toxic in contact with skin60% of notifiers
- H312 Harmful in contact with skin20% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H318 Causes serious eye damage40% of notifiers
- H331 Toxic if inhaled60% of notifiers
- H332 Harmful if inhaled20% of notifiers
Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
50916-55-7SMILES
C1=CC(=CC(=C1)C(=O)CBr)C#NInChIKey
XWCGNFLHRINYCE-UHFFFAOYSA-NInChI
InChI=1S/C9H6BrNO/c10-5-9(12)8-3-1-2-7(4-8)6-11/h1-4H,5H2Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-(2-Bromoacetyl)benzonitrile
Similar compounds
2-Bromo-1-(3-hydroxyphenyl)ethanone2491-37-459 % similar
3-Bromophenacyl bromide18523-22-358 % similar
Phenacyl bromide70-11-158 % similar
2-Bromo-1-(3-chlorophenyl)ethanone41011-01-257 % similar
3-Fluorophenacyl bromide53631-18-857 % similar
3-Cyanobenzoyl chloride1711-11-155 % similar
3-Cyanobenzoic acid1877-72-155 % similar
3-Acetylbenzonitrile6136-68-155 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.