2,5-Bis(trifluoromethyl)benzonitrile
Properties
- Molecular formula
- C9H3F6N
- Molar mass
- 239.12 g/mol
- Exact mass
- 239.0170 Da
- logP
- 3.60Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed100% of notifiers
- H311 Toxic in contact with skin16.7% of notifiers
- H312+H332 Harmful in contact with skin or if inhaled16.7% of notifiers
- H312 Harmful in contact with skin66.7% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H330 Fatal if inhaled16.7% of notifiers
- H332 Harmful if inhaled66.7% of notifiers
- H335 May cause respiratory irritation16.7% of notifiers
Aggregated from 6 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, 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
51012-27-2SMILES
C1=CC(=C(C=C1C(F)(F)F)C#N)C(F)(F)FInChIKey
OMAYRCLGTUORSS-UHFFFAOYSA-NInChI
InChI=1S/C9H3F6N/c10-8(11,12)6-1-2-7(9(13,14)15)5(3-6)4-16/h1-3HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with 2,5-Bis(trifluoromethyl)benzonitrile
Similar compounds
5-Fluoro-2-(trifluoromethyl)benzonitrile240800-45-766 % similar
3-Cyano-4-fluorobenzotrifluoride4088-84-066 % similar
5-Bromo-2-(trifluoromethyl)benzonitrile1208076-28-164 % similar
2-Bromo-5-(trifluoromethyl)benzonitrile1483-55-264 % similar
2-Chloro-5-(trifluoromethyl)benzonitrile328-87-064 % similar
2-Fluoro-4-(trifluoromethyl)benzonitrile146070-34-061 % similar
2-(Trifluoromethyl)benzonitrile447-60-960 % similar
2-Amino-4-(trifluoromethyl)benzonitrile1483-54-159 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.