4-Bromo-3-nitrobenzonitrile
Properties
- Molecular formula
- C7H3BrN2O2
- Molar mass
- 227.02 g/mol
- Exact mass
- 225.9378 Da
- logP
- 2.23Crippen estimate
- Polar surface area
- 66.9 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 1
Hazards
Warning
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled25% of notifiers
- H302 Harmful if swallowed50% of notifiers
- H312 Harmful in contact with skin50% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled50% of notifiers
- H335 May cause respiratory irritation75% of notifiers
Aggregated from 4 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
89642-49-9SMILES
C1=CC(=C(C=C1C#N)[N+](=O)[O-])BrInChIKey
FXRMUJPWDOLCLX-UHFFFAOYSA-NInChI
InChI=1S/C7H3BrN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with 4-Bromo-3-nitrobenzonitrile
Similar compounds
4-Fluoro-3-nitrobenzonitrile1009-35-463 % similar
4-Cyano-2-nitrophenol3272-08-063 % similar
4-Amino-3-nitrobenzonitrile6393-40-463 % similar
4-Methyl-3-nitrobenzonitrile939-79-763 % similar
4-Chloro-3-nitrobenzonitrile939-80-063 % similar
3-Fluoro-4-nitrobenzonitrile218632-01-059 % similar
3-Methyl-4-nitrobenzonitrile96784-54-259 % similar
2,5-Dibromonitrobenzene3460-18-258 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.