5-Chloro-2-methylaniline

C₇H₈ClNCAS 95-79-4141.60 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
Melting point: 26 °C
Boiling point: 237 °C (at 722 Torr)
logP: 2.23Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302+H312 Harmful if swallowed or in contact with skin68.4% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin68.4% of notifiers
H315 Causes skin irritation25.8% of notifiers
H319 Causes serious eye irritation98.1% of notifiers
H335 May cause respiratory irritation25.2% of notifiers
H351 Suspected of causing cancer69% of notifiers
H411 Toxic to aquatic life with long lasting effects68.4% of notifiers

Aggregated from 155 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

95-79-4

SMILES

Cc1ccc(Cl)cc1N

InChIKey

WRZOMWDJOLIVQP-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

28 names · show all

Benzenamine, 5-chloro-2-methyl-
o-Toluidine, 5-chloro-
Fast red KB base
5-Chloro-2-methylbenzenamine
Ansibase red KB
Pharmazoid red KB
Spectrolene red KB
5-Chloro-o-toluidine
2-Methyl-5-chloroaniline
3-Chloro-6-methylaniline
2-Amino-4-chlorotoluene
Fast Red KBS salt
Genazo Red KB soln
Fast Red KB salt Supra
Fast Red KB salt
Acco Fast Red KB base
Azoene Fast Red KB base
Red KB base
Fast Red KB amine
Stable Red KB base
Hiltonil Fast Red KB base
Metrogen Red Former KB soln
Naphthosol Fast Red KB base
Fast red KB-T base
4-Chloro-2-aminotoluene
5-Chloro-2-toluidine
NSC 7094
5-Chloro-2-methylphenylamine

Work with 5-Chloro-2-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 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.

5-Chloro-o-toluidine hydrochloride6259-42-3Salt

Similar compounds

4-Chloro-o-toluidine95-69-272 % similar 4-Chloro-2-methylaniline hydrochloride3165-93-364 % similar 4-Chloro-1,2-dimethylbenzene615-60-160 % similar 4-Chloro-1,2-phenylenediamine95-83-060 % similar 5-Chloro-2-iodobenzenamine6828-35-957 % similar 2,4-Dichlorotoluene95-73-856 % similar 2,5-Xylidine95-78-356 % 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

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