3,5-Difluorophenylacetonitrile
Properties
- Molecular formula
- C8H5F2N
- Molar mass
- 153.13 g/mol
- Exact mass
- 153.0390 Da
- logP
- 2.03Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed95.8% of notifiers
- H312 Harmful in contact with skin95.8% of notifiers
- H315 Causes skin irritation95.8% of notifiers
- H319 Causes serious eye irritation95.8% of notifiers
- H332 Harmful if inhaled95.8% of notifiers
- H335 May cause respiratory irritation93.8% of notifiers
Aggregated from 48 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
122376-76-5SMILES
C1=C(C=C(C=C1F)F)CC#NInChIKey
OBMYMTSBABEPIB-UHFFFAOYSA-NInChI
InChI=1S/C8H5F2N/c9-7-3-6(1-2-11)4-8(10)5-7/h3-5H,1H2Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3,5-Difluorophenylacetonitrile
Similar compounds
3-Chloro-5-fluorophenylacetonitrile493038-93-071 % similar
3-Fluoro-5-(trifluoromethyl)phenylacetonitrile239087-12-867 % similar
3-Fluorobenzeneacetonitrile501-00-867 % similar
4-Fluorobenzeneacetonitrile459-22-362 % similar
2,4,6-Trifluorophenylacetonitrile220227-80-557 % similar
3,4,5-Trifluorophenylacetonitrile220228-03-557 % similar
(3-Cyanomethyl-5-methylphenyl)acetonitrile120511-74-252 % similar
3,5-Dimethylbenzeneacetonitrile39101-54-752 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.