4-Bromo-3-fluorobenzonitrile
Properties
- Molecular formula
- C7H3BrFN
- Molar mass
- 200.01 g/mol
- Exact mass
- 198.9433 Da
- logP
- 2.46Crippen 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 inhaled25% of notifiers
- H301 Toxic if swallowed50% of notifiers
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled25% of notifiers
- H302 Harmful if swallowed25% of notifiers
- H311 Toxic in contact with skin50% of notifiers
- H312 Harmful in contact with skin25% of notifiers
- H315 Causes skin irritation75% of notifiers
- H319 Causes serious eye irritation75% of notifiers
- H331 Toxic if inhaled50% of notifiers
- H332 Harmful if inhaled25% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 4 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
133059-44-6SMILES
N#Cc1ccc(Br)c(F)c1InChIKey
QBKXYSXQKRNVRQ-UHFFFAOYSA-NInChI
InChI=1S/C7H3BrFN/c8-6-2-1-5(4-10)3-7(6)9/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Benzonitrile, 4-bromo-3-fluoro-
- 3-Fluoro-4-bromobenzonitrile
Work with 4-Bromo-3-fluorobenzonitrile
Similar compounds
3,4-Difluorobenzonitrile64248-62-064 % similar
2-Fluoro-1,4-benzenedicarbonitrile1897-53-660 % similar
4-Chloro-3-fluorobenzonitrile110888-15-856 % similar
3-Fluoro-4-methylbenzonitrile170572-49-356 % similar
4-Cyano-2-fluorophenol405-04-956 % similar
4-Bromo-3-methylbenzonitrile41963-20-656 % similar
4-Amino-3-fluorobenzonitrile63069-50-156 % similar
3-Fluoro-4-iodobenzonitrile887266-99-156 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
4-Bromo-2-fluorobenzonitrile105942-08-3
5-Bromo-2-fluorobenzonitrile179897-89-3
3-Bromo-5-fluorobenzonitrile179898-34-1
2-Bromo-4-fluorobenzonitrile36282-26-5
2-Bromo-3-fluorobenzonitrile425379-16-4
2-Bromo-5-fluorobenzonitrile57381-39-2
2-Bromo-6-fluorobenzonitrile79544-27-7
3-Bromo-4-fluorobenzonitrile79630-23-2