4-Chloro-o-toluidine

C₇H₈ClNCAS 95-69-2141.60 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: 1.19 g/mL
Melting point: 30 °C
Boiling point: 241 °C
pKa: 3.85 (25 °C)
Flash point: 99 °C (closed cup)
Water solubility: 950 mg/L (25 °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 swallowedAcute toxicity, oral
H311 Toxic in contact with skinAcute toxicity, dermal
H331 Toxic if inhaledAcute toxicity, inhalation
H341 Suspected of causing genetic defectsGerm cell mutagenicity
H350 May cause cancerCarcinogenicity
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 612-196-00-0[1]), via PubChem.

Precautionary statements

P203, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P318, P321, P330, P361+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

95-69-2

SMILES

Cc1cc(Cl)ccc1N

InChIKey

CXNVOWPRHWWCQR-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

25 names · show all

Benzenamine, 4-chloro-2-methyl-
o-Toluidine, 4-chloro-
4-Chloro-2-methylbenzenamine
Daito red base TR
Fast red base TR
Fast red 5CT base
Fast red TR base
Fast red TRO base
Kako red TR base
Mitsui red TR base
Red base NTR
Red TR base
Sanyo fast red TR base
2-Methyl-4-chloroaniline
2-Amino-5-chlorotoluene
4-Chloro-2-toluidine
4-Chloro-2-methylaniline
p-Chloro-o-toluidine
4-Chloro-6-methylaniline
3-Chloro-6-aminotoluene
Fast red TR-T base
5-Chloro-2-aminotoluene
2-Methyl-4-chlorobenzenamine
NSC 4979
(4-Chloro-2-methylphenyl)amine

Work with 4-Chloro-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.

4-Chloro-2-methylaniline hydrochloride3165-93-3Salt

Similar compounds

5-Chloro-2-methylaniline95-79-472 % similar 5-Chloro-o-toluidine hydrochloride6259-42-364 % similar 4-Chloro-1,2-dimethylbenzene615-60-163 % similar 4-Chloro-1,2-phenylenediamine95-83-063 % similar Tolidine119-93-760 % similar 4-Chloro-2-iodoaniline63069-48-759 % similar 2,5-Dichlorotoluene19398-61-958 % similar 2,4-Dichloroaniline554-00-758 % 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

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