3-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
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
948549-53-9SMILES
C1=CC(=C(C=C1C#N)Br)ClInChIKey
GTTSCQCUEKBTNZ-UHFFFAOYSA-NInChI
InChI=1S/C7H3BrClN/c8-6-3-5(4-10)1-2-7(6)9/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-Bromo-4-chlorobenzonitrile
Similar compounds
3,4-Dichlorobenzonitrile6574-99-864 % similar
4-Chloro-3-fluorobenzonitrile110888-15-856 % similar
3-Chloro-4-hydroxybenzonitrile2315-81-356 % similar
3-Bromo-4-hydroxybenzonitrile2315-86-856 % similar
3-Bromo-4-methylbenzonitrile42872-74-256 % similar
4-Amino-3-bromobenzonitrile50397-74-556 % similar
3-Amino-4-chlorobenzonitrile53312-79-156 % similar
3-Bromo-4-fluorobenzonitrile79630-23-256 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.