4-Fluorobenzonitrile
Properties
- Molecular formula
- C7H4FN
- Molar mass
- 121.11 g/mol
- Exact mass
- 121.0328 Da
- Density
- 1.32 g/mL
- Melting point
- 34.8 °C
- Boiling point
- 188.8 °C
- logP
- 1.70Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H228 Flammable solid13.6% of notifiers
- H302 Harmful if swallowed96.6% of notifiers
- H312 Harmful in contact with skin96.6% of notifiers
- H315 Causes skin irritation16.9% of notifiers
- H319 Causes serious eye irritation16.9% of notifiers
- H332 Harmful if inhaled89.8% of notifiers
- H335 May cause respiratory irritation15.3% of notifiers
Aggregated from 59 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P240, P241, 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, P370+P378, P403+P233, P405, P501
Identifiers
CAS number
1194-02-1SMILES
N#Cc1ccc(F)cc1InChIKey
AEKVBBNGWBBYLL-UHFFFAOYSA-NInChI
InChI=1S/C7H4FN/c8-7-3-1-6(5-9)2-4-7/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- Benzonitrile, 4-fluoro-
- Benzonitrile, p-fluoro-
- p-Fluorobenzonitrile
- p-Cyanofluorobenzene
- 1-Cyano-4-fluorobenzene
- 4-Fluorocyanobenzene
- 4-Cyanofluorobenzene
- p-Fluorophenyl cyanide
- NSC 88330
- para-Fluorobenzonitrile
Work with 4-Fluorobenzonitrile
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1,4-Dicyanobenzene623-26-767 % similar
(1,1'-Biphenyl)-4,4'-dicarbonitrile1591-30-657 % similar
3,5-Dicyanofluorobenzene453565-55-457 % similar
3,5-Difluorobenzonitrile64248-63-157 % similar
Benzonitrile100-47-052 % similar
4-Methylbenzonitrile104-85-850 % similar
4,4'-(1-Methylene) bis-benzonitrile10466-37-250 % similar
4,4′-(1,4-Phenylenedi-2,1-ethenediyl)bis[benzonitrile]13001-40-650 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.