2-Chloro-4-(trifluoromethyl)benzonitrile
Properties
- Molecular formula
- C8H3ClF3N
- Molar mass
- 205.56 g/mol
- Exact mass
- 204.9906 Da
- logP
- 3.23Crippen 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 inhaled14.3% of notifiers
- H301 Toxic if swallowed42.9% of notifiers
- H302 Harmful if swallowed57.1% of notifiers
- H311 Toxic in contact with skin100% of notifiers
- H315 Causes skin irritation71.4% of notifiers
- H319 Causes serious eye irritation71.4% of notifiers
- H330 Fatal if inhaled14.3% of notifiers
- H331 Toxic if inhaled28.6% of notifiers
- H332 Harmful if inhaled57.1% of notifiers
Aggregated from 7 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, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1813-33-8SMILES
C1=CC(=C(C=C1C(F)(F)F)Cl)C#NInChIKey
GEHMLBFNZKJDQM-UHFFFAOYSA-NInChI
InChI=1S/C8H3ClF3N/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with 2-Chloro-4-(trifluoromethyl)benzonitrile
Similar compounds
2,4-Bis(trifluoromethyl)benzonitrile177952-38-464 % similar
2-Fluoro-4-(trifluoromethyl)benzonitrile146070-34-062 % similar
2,6-Dichloro-4-(trifluoromethyl)benzonitrile157021-61-961 % similar
2-Amino-4-(trifluoromethyl)benzonitrile1483-54-160 % similar
2-Bromo-4-(trifluoromethyl)benzonitrile35764-15-960 % similar
2,5-Bis(trifluoromethyl)benzonitrile51012-27-259 % similar
3,4-Dichlorobenzotrifluoride328-84-758 % similar
3-Cyano-4-fluorobenzotrifluoride4088-84-057 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.