2-Amino-4-chloro-5-methylbenzenesulfonic acid

C₇H₈ClNO₃SCAS 88-51-7221.66 g/mol

Open in Covalent MOL file

Aryl halide Primary amine Sulfonic acid

Properties

Molecular formula: C₇H₈ClNO₃S
Molar mass: 221.66 g/mol
Exact mass: 220.9913 Da
logP: 1.48Crippen estimate
Polar surface area: 80.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation42.4% of notifiers
H319 Causes serious eye irritation99% of notifiers
H335 May cause respiratory irritation41.9% of notifiers

Aggregated from 198 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

88-51-7

SMILES

Cc1cc(S(=O)(=O)O)c(N)cc1Cl

InChIKey

VRLPHBSFRWMMPW-UHFFFAOYSA-N

InChI

InChI=1S/C7H8ClNO3S/c1-4-2-7(13(10,11)12)6(9)3-5(4)8/h2-3H,9H2,1H3,(H,10,11,12)

Weigh it out

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

Names and synonyms

14 names · show all

Benzenesulfonic acid, 2-amino-4-chloro-5-methyl-
m-Toluenesulfonic acid, 6-amino-4-chloro-
6-Amino-4-chloro-m-toluenesulfonic acid
Brilliant toning red amine
2-Chloro-p-toluidine-5-sulfonic acid
2-Chloro-4-toluidine-5-sulfonic acid
3-Chloro-4-methylaniline-6-sulfonic acid
2-Chloro-4-aminotoluene-5-sulfonic acid
2-Amino-4-chloro-5-methyl-1-benzenesulfonic acid
4-Amino-2-chlorotoluene-5-sulfonic acid
1-Amino-4-methyl-5-chlorobenzene-2-sulfonic acid
2B Acid
1-Amino-3-chloro-4-methylbenzene-6-sulfonic acid
4-Amino-6-chlorotoluene-3-sulfonic acid

Work with 2-Amino-4-chloro-5-methylbenzenesulfonic acid

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.

Sodium 2-amino-4-chloro-5-methylbenzenesulfonate6627-59-4Salt

Similar compounds

2-Amino-4,5-dimethylbenzenesulfonic acid56375-83-873 % similar 2-Amino-4,5-dichlorobenzenesulfonic acid6331-96-073 % similar 4-Amino-2,5-dichlorobenzenesulfonic acid88-50-666 % similar 4,6-Diamino-1,3-benzenedisulfonic acid137-50-858 % similar 4-Chloro-5-methylbenzene-1,2-diamine63155-04-455 % similar 2,4,5-Trichlorobenzenesulfonic acid6378-25-251 % similar 2-Amino-5-chlorobenzenesulphonic acid133-74-451 % similar 2-Amino-5-methylbenzenesulfonic acid88-44-851 % similar

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

Same formula

C Amine88-53-9

Elsewhere

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