O-Toluidine

C₇H₉NCAS 95-53-4107.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₉N
Molar mass: 107.16 g/mol
Exact mass: 107.0735 Da
Density: 1.008 g/mL (at 20 °C)
Melting point: −16.3 °C
Boiling point: 200.3 °C
pKa: 4.44 (25 °C)
Flash point: 85 °C (closed cup)
Water solubility: 16.2 g/L (20 °C)
logP: 1.58Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowedAcute toxicity, oral
H319 Causes serious eye irritationSerious eye damage/eye irritation
H331 Toxic if inhaledAcute toxicity, inhalation
H350 May cause cancerCarcinogenicity
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard

Harmonised EU classification (CLP Annex VI, index 612-091-00-X), via PubChem.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P304+P340, P305+P351+P338, P316, P318, P321, P330, P337+P317, P391, P403+P233, P405, P501

Identifiers

CAS number

95-53-4

SMILES

Cc1ccccc1N

InChIKey

RNVCVTLRINQCPJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

15 names · show all

o-Methylaniline
Benzenamine, 2-methyl-
2-Methylbenzenamine
2-Aminotoluene
o-Methylbenzenamine
2-Methyl-1-aminobenzene
2-Toluidine
2-Methylaniline
o-Tolylamine
1-Amino-2-methylbenzene
o-Aminotoluene
2-Amino-1-methylbenzene
2-Methylphenylamine
2-Tolylamine
NSC 15348

Work with O-Toluidine

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.

o-Toluidinium chloride636-21-5Salt

Similar compounds

2,3-Xylidine87-59-264 % similar 2,3-Diaminotoluene2687-25-461 % similar 2-(o-Tolyloxy)aniline3840-18-458 % similar 2-Amino-6-methylphenol17672-22-956 % similar 2-Fluoro-3-methylaniline1978-33-256 % similar 2-Bromo-3-methylbenzenamine54879-20-856 % similar 2-Amino-6-methylbenzonitrile56043-01-756 % similar O-Xylene95-47-656 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Cyclohexene-1-carbonitrile100-45-8 Benzylamine100-46-9 N-Methylaniline100-61-8 2-Ethylpyridine100-71-0 4-Methylaniline106-49-0 M-Toluidine108-44-1 2,4-Lutidine108-47-4 2,6-Lutidine108-48-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia