Aniline
Properties
- Molecular formula
- C6H7N
- Molar mass
- 93.13 g/mol
- Exact mass
- 93.0578 Da
- Density
- 1.0217 g/mL (at 20 °C)
- Melting point
- −6 °C
- Boiling point
- 184.1 °C
- pKa
- 4.6 (conjugate acid, 25 °C)
- Flash point
- 76 °C (closed cup)
- Water solubility
- 36 g/L (25 °C)
- logP
- 1.27Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowedAcute toxicity, oral
- H311 Toxic in contact with skinAcute toxicity, dermal
- H317 May cause an allergic skin reactionSensitization, Skin
- H318 Causes serious eye damageSerious eye damage/eye irritation
- H331 Toxic if inhaledAcute toxicity, inhalation
- H341 Suspected of causing genetic defectsGerm cell mutagenicity
- H351 Suspected of causing cancerCarcinogenicity
- H372 ** Causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
Harmonised EU classification (CLP Annex VI, index 612-008-00-7), via PubChem.
Precautionary statements
P203, P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P316, P317, P318, P319, P321, P330, P333+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
62-53-3SMILES
Nc1ccccc1InChIKey
PAYRUJLWNCNPSJ-UHFFFAOYSA-NInChI
InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- Benzenamine
- C.I. 76000
- Aminophen
- Benzene, amino-
- Blue oil
- Phenylamine
- Anyvim
- Aminobenzene
- NCI 176889
Safety data sheets
One stored sheet lists this compound in section 3, matched by the CAS number 62-53-3. Each row opens the sheet with its composition and PDF.
Work with Aniline
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
4-Amino-P-terphenyl7293-45-065 % similar
4-Aminobiphenyl92-67-165 % similar
P-Phenylenediamine106-50-362 % similar
M-Phenylenediamine108-45-256 % similar
4-Aminodiphenylamine101-54-255 % similar
4-Benzylaniline1135-12-255 % similar
(4-Aminophenoxy)benzene139-59-355 % similar
3-Aminobiphenyl2243-47-255 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.