5-Bromo-2-(trifluoromethyl)benzonitrile
Properties
- Molecular formula
- C8H3BrF3N
- Molar mass
- 250.02 g/mol
- Exact mass
- 248.9401 Da
- logP
- 3.34Crippen 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 the 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
1208076-28-1SMILES
C1=CC(=C(C=C1Br)C#N)C(F)(F)FInChIKey
YXEMPTWEFRLPBY-UHFFFAOYSA-NInChI
InChI=1S/C8H3BrF3N/c9-6-1-2-7(8(10,11)12)5(3-6)4-13/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with 5-Bromo-2-(trifluoromethyl)benzonitrile
Similar compounds
2,5-Bis(trifluoromethyl)benzonitrile51012-27-264 % similar
5-Fluoro-2-(trifluoromethyl)benzonitrile240800-45-762 % similar
4-Bromophthalonitrile70484-01-458 % similar
2-(Trifluoromethyl)benzonitrile447-60-956 % similar
5-Bromo-2-fluorobenzonitrile179897-89-356 % similar
4-Bromo-2-fluorobenzotrifluoride142808-15-953 % similar
4-Fluoro-2-trifluoromethylbenzonitrile194853-86-653 % similar
4-Hydroxy-2-(trifluoromethyl)benzonitrile320-42-353 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.