3-Chloro-4-methylaniline

C₇H₈ClNCAS 95-74-9141.60 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₇H₈ClN
Molar mass: 141.60 g/mol
Exact mass: 141.0345 Da
Density: 1.108 g/mL
Melting point: 26 °C
Boiling point: 242–244 °C
pKa: 4.05 (conjugate acid)
Water solubility: < 1 g/L (22.2 °C)
logP: 2.23Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed89.6% of notifiers
H311 Toxic in contact with skin85.4% of notifiers
H315 Causes skin irritation93.8% of notifiers
H317 May cause an allergic skin reaction87.5% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H332 Harmful if inhaled12.5% of notifiers
H400 Very toxic to aquatic life89.6% of notifiers
H410 Very toxic to aquatic life with long lasting effects89.6% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P317, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P391, P405, P501

Identifiers

CAS number

95-74-9

SMILES

Cc1ccc(N)cc1Cl

InChIKey

RQKFYFNZSHWXAW-UHFFFAOYSA-N

InChI

InChI=1S/C7H8ClN/c1-5-2-3-6(9)4-7(5)8/h2-4H,9H2,1H3

Weigh it out

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

Names and synonyms

11 names

Benzenamine, 3-chloro-4-methyl-
p-Toluidine, 3-chloro-
3-Chloro-4-methylbenzenamine
3-Chloro-p-toluidine
4-Methyl-3-chloroaniline
1-Amino-3-chloro-4-methylbenzene
2-Chloro-4-aminotoluene
DRC 1347
3-Chloro-4-methylphenylamine
NSC 96620
4-Amino-2-chlorotoluene

Work with 3-Chloro-4-methylaniline

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

Similar compounds

3,4-Xylidine95-64-760 % similar 3,4-Dichloroaniline95-76-160 % similar Chloro-p-xylene95-72-758 % similar 3-Chloro-4-iodobenzenamine135050-44-157 % similar 2-Chloro-p-phenylenediamine615-66-756 % similar 4-Chloro-5-methylbenzene-1,2-diamine63155-04-456 % similar 2,4-Dichlorotoluene95-73-856 % similar 2,4-Diaminotoluene95-80-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Chlorobenzylamine104-86-9 3-Chloro-5-methylbenzenamine29027-20-1 2-Chloro-4,6-dimethylpyridine30838-93-8 4-Chloro-2,6-dimethylpyridine3512-75-2 3-Chlorobenzylamine4152-90-3 2-Chloro-4-methylaniline615-65-6 3-Chloro-N-methylaniline7006-52-2 4-Chloro-3-methylaniline7149-75-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook