3-Chloroaniline
Properties
- Molecular formula
- C6H6ClN
- Molar mass
- 127.57 g/mol
- Exact mass
- 127.0189 Da
- Density
- 1.215 g/mL (at 22 °C)
- Melting point
- −10.4 °C
- Boiling point
- 230.5 °C
- pKa
- 3.521 (conjugate acid, 25 °C)
- Flash point
- 118 °C (closed cup)
- Water solubility
- 5.4 g/L (20 °C)
- logP
- 1.92Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H301+H311 Toxic if swallowed or in contact with skin25% of notifiers
- H301 Toxic if swallowed67.5% of notifiers
- H311 Toxic in contact with skin66.9% of notifiers
- H317 May cause an allergic skin reaction25% of notifiers
- H319 Causes serious eye irritation25.6% of notifiers
- H330 Fatal if inhaled26.2% of notifiers
- H331 Toxic if inhaled41.2% of notifiers
- H350 May cause cancer24.4% of notifiers
- H372 Causes damage to organs through prolonged or repeated exposure25% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure74.4% of notifiers
- H400 Very toxic to aquatic life96.9% of notifiers
- H410 Very toxic to aquatic life with long lasting effects66.9% of notifiers
Aggregated from 160 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P319, P320, P321, P330, P333+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
108-42-9SMILES
Nc1cccc(Cl)c1InChIKey
PNPCRKVUWYDDST-UHFFFAOYSA-NInChI
InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
14 names · show all
- Benzenamine, 3-chloro-
- Aniline, m-chloro-
- 3-Chlorobenzenamine
- m-Chloroaniline
- Fast orange GC base
- m-Aminochlorobenzene
- m-Chlorophenylamine
- Orange GC base
- 1-Amino-3-chlorobenzene
- 3-Chlorophenylamine
- 3-Amino-1-chlorobenzene
- 3-Chloro-1-aminobenzene
- NSC 17581
- 5-Chloroaniline
Work with 3-Chloroaniline
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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
M-Phenylenediamine108-45-263 % similar
1,3-Dichlorobenzene541-73-158 % similar
3,5-Diaminochlorobenzene33786-89-957 % similar
3,5-Dichloroaniline626-43-757 % similar
m-Phenylenediamine hydrochloride541-69-555 % similar
3-Fluoroaniline372-19-050 % similar
M-Toluidine108-44-148 % similar
3,3′-Oxydianiline15268-07-248 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.