3-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 inhaled100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H318 Causes serious eye damage100% 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, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
1092460-79-1SMILES
C1=CC(=C(C=C1C#N)Cl)C(F)(F)FInChIKey
IWZFPSVQIDJRAD-UHFFFAOYSA-NInChI
InChI=1S/C8H3ClF3N/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-Chloro-4-(trifluoromethyl)benzonitrile
Similar compounds
3-Fluoro-4-(trifluoromethyl)benzonitrile231953-38-162 % similar
3,4-Dichlorobenzonitrile6574-99-858 % similar
4-Fluoro-3-(trifluoromethyl)benzonitrile67515-59-757 % similar
3-Chloro-4-fluorobenzonitrile117482-84-556 % similar
4-Hydroxy-3-(trifluoromethyl)benzonitrile124811-71-856 % similar
4-Bromo-3-(trifluoromethyl)benzonitrile1735-53-156 % similar
4-Methyl-3-(trifluoromethyl)benzonitrile261952-06-156 % similar
2-Amino-5-cyanobenzotrifluoride327-74-256 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.