2-Bromo-4-chlorobenzonitrile
Properties
- Molecular formula
- C7H3BrClN
- Molar mass
- 216.46 g/mol
- Exact mass
- 214.9137 Da
- logP
- 2.97Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled66.7% of notifiers
- H301 Toxic if swallowed33.3% of notifiers
- H302 Harmful if swallowed33.3% of notifiers
- H311 Toxic in contact with skin33.3% of notifiers
- H312 Harmful in contact with skin33.3% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H331 Toxic if inhaled33.3% of notifiers
- H332 Harmful if inhaled33.3% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 3 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
57381-49-4SMILES
N#Cc1ccc(Cl)cc1BrInChIKey
PEAQTMSQUXACRN-UHFFFAOYSA-NInChI
InChI=1S/C7H3BrClN/c8-7-3-6(9)2-1-5(7)4-10/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Benzonitrile, 2-bromo-4-chloro-
Work with 2-Bromo-4-chlorobenzonitrile
Similar compounds
2,4-Dichlorobenzonitrile6574-98-760 % similar
2-Bromo-4-fluorobenzonitrile36282-26-556 % similar
2-Amino-4-chlorobenzonitrile38487-86-456 % similar
2-Bromo-4-methylbenzonitrile42872-73-156 % similar
4-Chloro-2-methylbenzonitrile50712-68-056 % similar
4-Amino-2-bromobenzonitrile53312-82-656 % similar
4-Chloro-2-fluorobenzonitrile57381-51-856 % similar
2,5-Dichlorobenzonitrile21663-61-655 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.