2,3,4-Trifluorobenzonitrile
Properties
- Molecular formula
- C7H2F3N
- Molar mass
- 157.10 g/mol
- Exact mass
- 157.0139 Da
- logP
- 1.98Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H227 Combustible liquid12.5% of notifiers
- H301 Toxic if swallowed25% of notifiers
- H302 Harmful if swallowed75% of notifiers
- H311 Toxic in contact with skin12.5% of notifiers
- H312 Harmful in contact with skin75% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H330 Fatal if inhaled12.5% of notifiers
- H332 Harmful if inhaled75% of notifiers
- H335 May cause respiratory irritation62.5% of notifiers
Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, 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, P370+P378, P403, P403+P233, P405, P501
Identifiers
CAS number
143879-80-5SMILES
C1=CC(=C(C(=C1C#N)F)F)FInChIKey
KTPHYLJFAZNALV-UHFFFAOYSA-NInChI
InChI=1S/C7H2F3N/c8-5-2-1-4(3-11)6(9)7(5)10/h1-2HWeigh it out
Type any one amount. The others follow from the molar mass.
Work with 2,3,4-Trifluorobenzonitrile
Similar compounds
2,4-Difluoro-3-methylbenzonitrile847502-87-871 % similar
2,3-Difluorobenzonitrile21524-39-067 % similar
3-Chloro-2,4-difluorobenzonitrile887267-38-166 % similar
2,3,4,5-Tetrafluorobenzonitrile16582-93-763 % similar
2,4-Difluoro-3-methoxybenzonitrile220353-20-859 % similar
2,3-Difluoro-4-hydroxybenzonitrile126162-38-759 % similar
1-Cyano-4-fluoronaphthalene13916-99-955 % similar
1,2,3,4-Tetrafluorobenzene551-62-255 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.