4-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
Danger
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled20% of notifiers
- H301 Toxic if swallowed60% of notifiers
- H302 Harmful if swallowed20% of notifiers
- H311 Toxic in contact with skin60% of notifiers
- H312 Harmful in contact with skin20% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H330 Fatal if inhaled40% of notifiers
- H331 Toxic if inhaled20% of notifiers
- H332 Harmful if inhaled20% of notifiers
- H335 May cause respiratory irritation80% of notifiers
Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
191165-13-6SMILES
C1=CC(=C(C=C1Br)C(F)(F)F)C#NInChIKey
XZZVLHLYHDELAI-UHFFFAOYSA-NInChI
InChI=1S/C8H3BrF3N/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with 4-Bromo-2-(trifluoromethyl)benzonitrile
Similar compounds
4-Fluoro-2-trifluoromethylbenzonitrile194853-86-667 % similar
4-Hydroxy-2-(trifluoromethyl)benzonitrile320-42-367 % similar
2,4-Bis(trifluoromethyl)benzonitrile177952-38-464 % similar
4-Iodo-2-(trifluoromethyl)benzonitrile101066-87-960 % similar
4-Chloro-2-(trifluoromethyl)benzonitrile320-41-260 % similar
4-Cyano-3-(trifluoromethyl)aniline654-70-660 % similar
4-Bromophthalonitrile70484-01-458 % similar
2-(Trifluoromethyl)benzonitrile447-60-956 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.