4-Chlorobenzonitrile
Properties
- Molecular formula
- C7H4ClN
- Molar mass
- 137.57 g/mol
- Exact mass
- 137.0032 Da
- Melting point
- 95 °C
- Boiling point
- 223 °C
- logP
- 2.21Crippen estimate
- Polar surface area
- 23.8 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowed100% of notifiers
- H311 Toxic in contact with skin52.3% of notifiers
- H312 Harmful in contact with skin27.6% of notifiers
- H315 Causes skin irritation21.1% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled20.1% of notifiers
- H335 May cause respiratory irritation20.6% of notifiers
- H412 Harmful to aquatic life with long lasting effects76.9% of notifiers
Aggregated from 199 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
623-03-0SMILES
N#Cc1ccc(Cl)cc1InChIKey
GJNGXPDXRVXSEH-UHFFFAOYSA-NInChI
InChI=1S/C7H4ClN/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.
Names and synonyms
15 names · show all
- Benzonitrile, 4-chloro-
- Benzonitrile, p-chloro-
- p-Chlorobenzonitrile
- p-Cyanochlorobenzene
- p-Chlorocyanobenzene
- 1-Cyano-4-chlorobenzene
- 4-Chlorocyanobenzene
- 1-Chloro-4-cyanobenzene
- 4-Chlorobenzonitril
- 4-Cyanochlorobenzene
- 4-Cyanophenyl chloride
- NSC 6111
- 4-Chlorophenyl cyanide
- 1-Chloro-4-benzonitrile
- 4-Chlorobenzenitrile
Work with 4-Chlorobenzonitrile
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-Dichlorobenzonitrile6575-00-457 % similar
Benzonitrile100-47-052 % similar
5-Chloro-2-pyridinecarbonitrile89809-64-352 % similar
4-Methylbenzonitrile104-85-850 % similar
4,4'-(1-Methylene) bis-benzonitrile10466-37-250 % similar
1,4-Dichlorobenzene106-46-750 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.