4-Methylaniline hydrochloride

C₇H₁₀ClNCAS 540-23-8143.61 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₁₀ClN
Molar mass: 143.61 g/mol
Exact mass: 143.0502 Da
Density: 1.19 g/mL
Melting point: 243 °C
Boiling point: 257.5 °C
Water solubility: ≥ 100 g/L (20 °C)
logP: 2.00Crippen estimate
Polar surface area: 26.0 Å²
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
H319 Causes serious eye irritationSerious eye damage/eye irritation
H331 Toxic if inhaledAcute toxicity, inhalation
H351 Suspected of causing cancerCarcinogenicity
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard

Harmonised EU classification (CLP Annex VI, index 612-160-00-4[2]), via PubChem.

Precautionary statements

P203, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P318, P321, P330, P333+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

540-23-8

SMILES

Cc1ccc(N)cc1.Cl

InChIKey

JQKBUTDZZRGQDR-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

10 names

Benzenamine, 4-methyl-, hydrochloride (1:1)
p-Toluidine, hydrochloride
Benzenamine, 4-methyl-, hydrochloride
p-Toluidinium chloride
4-Aminotoluene hydrochloride
p-Methylanilinium chloride
4-Methylanilinium chloride
p-Methylaniline hydrochloride
4-Methylphenylammonium chloride
4-Methylbenzenamine hydrochloride

Work with 4-Methylaniline hydrochloride

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.

4-Methylaniline106-49-0Free base 5-Bromo-4-chloro-3-indolyl phosphate p-toluidine salt6578-06-9Salt Magenta phosphate6769-80-8Salt

Similar compounds

1,4-Diaminobenzene dihydrochloride624-18-067 % similar 4-(4-Methylphenoxy)benzenamine41295-20-963 % similar [1,1′-Biphenyl]-4,4′-diamine hydrochloride (1:2)531-85-157 % similar 4-Methylphenylhydrazine hydrochloride637-60-552 % similar P-Xylene106-42-350 % similar P-Phenylenediamine106-50-350 % similar Benzenamine hydrochloride (1:1)142-04-150 % similar 4-Chloroaniline hydrochloride20265-96-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethylpyridinium chloride2294-38-4 Benzylammonium chloride3287-99-8 o-Toluidinium chloride636-21-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook