3-Chlorobenzonitrile
Properties
- Molecular formula
- C7H4ClN
- Molar mass
- 137.57 g/mol
- Exact mass
- 137.0032 Da
- Melting point
- 41 °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 swallowed81.8% of notifiers
- H311 Toxic in contact with skin45.5% of notifiers
- H312 Harmful in contact with skin45.5% of notifiers
- H319 Causes serious eye irritation90.9% of notifiers
- H412 Harmful to aquatic life with long lasting effects54.5% of notifiers
Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P262, P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P316, P317, P321, P330, P337+P317, P361+P364, P362+P364, P405, P501
Identifiers
CAS number
766-84-7SMILES
N#Cc1cccc(Cl)c1InChIKey
WBUOVKBZJOIOAE-UHFFFAOYSA-NInChI
InChI=1S/C7H4ClN/c8-7-3-1-2-6(4-7)5-9/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzonitrile, 3-chloro-
- Benzonitrile, m-chloro-
- m-Chlorobenzonitrile
- m-Cyanochlorobenzene
- m-Chlorocyanobenzene
- NSC 59733
Work with 3-Chlorobenzonitrile
Similar compounds
Isophthalonitrile626-17-568 % similar
3,5-Dichlorobenzonitrile6575-00-463 % similar
3-Fluorobenzonitrile403-54-356 % similar
3-Chlorophenylacetylene766-83-656 % similar
3-Cyanophenol873-62-156 % similar
3-Aminobenzonitrile2237-30-154 % similar
3-Methylbenzonitrile620-22-454 % similar
3-Iodobenzonitrile69113-59-354 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.