2-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
Warning
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled33.3% of notifiers
- H302 Harmful if swallowed66.7% of notifiers
- H312 Harmful in contact with skin66.7% of notifiers
- H315 Causes skin irritation66.7% of notifiers
- H319 Causes serious eye irritation66.7% of notifiers
- H332 Harmful if inhaled66.7% of notifiers
- H335 May cause respiratory irritation66.7% of notifiers
Aggregated from 3 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
425379-16-4SMILES
C1=CC(=C(C(=C1)F)Br)C#NInChIKey
DBECKESJFGWYFN-UHFFFAOYSA-NInChI
InChI=1S/C7H3BrFN/c8-7-5(4-10)2-1-3-6(7)9/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with 2-Bromo-3-fluorobenzonitrile
Similar compounds
2-Fluorobenzonitrile394-47-863 % similar
2,3-Difluorobenzonitrile21524-39-060 % similar
3-Fluoro-1,2-benzenedicarbonitrile65610-13-160 % similar
2-Chloro-3-fluorobenzonitrile874781-08-558 % similar
2-Bromo-1,3-difluorobenzene64248-56-258 % similar
2-Amino-3-fluorobenzonitrile115661-37-556 % similar
3-Fluoro-2-methylbenzonitrile185147-06-256 % similar
2,6-Difluorobenzonitrile1897-52-552 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
4-Bromo-2-fluorobenzonitrile105942-08-3
4-Bromo-3-fluorobenzonitrile133059-44-6
5-Bromo-2-fluorobenzonitrile179897-89-3
3-Bromo-5-fluorobenzonitrile179898-34-1
2-Bromo-4-fluorobenzonitrile36282-26-5
2-Bromo-5-fluorobenzonitrile57381-39-2
2-Bromo-6-fluorobenzonitrile79544-27-7
3-Bromo-4-fluorobenzonitrile79630-23-2