2,3-Difluoro-6-(trifluoromethyl)benzonitrile
Properties
- Molecular formula
- C8H2F5N
- Molar mass
- 207.10 g/mol
- Exact mass
- 207.0107 Da
- logP
- 2.86Crippen 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
186517-05-5SMILES
C1=CC(=C(C(=C1C(F)(F)F)C#N)F)FInChIKey
QODCSKFZMRDUMK-UHFFFAOYSA-NInChI
InChI=1S/C8H2F5N/c9-6-2-1-5(8(11,12)13)4(3-14)7(6)10/h1-2HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with 2,3-Difluoro-6-(trifluoromethyl)benzonitrile
Similar compounds
2,3,6-Trifluorobenzonitrile136514-17-563 % similar
2-Fluoro-6-(trifluoromethyl)benzonitrile133116-83-362 % similar
2,6-Bis(trifluoromethyl)benzonitrile25753-25-756 % similar
3-Fluoro-4-(trifluoromethyl)benzonitrile231953-38-153 % similar
4-Fluoro-3-(trifluoromethyl)benzonitrile67515-59-753 % similar
2,3,5,6-Tetrafluorobenzonitrile5216-17-152 % similar
2-Fluoro-3-(trifluoromethyl)benzonitrile146070-35-149 % similar
5-Fluoro-2-(trifluoromethyl)benzonitrile240800-45-749 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.