C Amine

C₇H₈ClNO₃SCAS 88-53-9221.66 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

Danger

H314 Causes severe skin burns and eye damage26.5% of notifiers
H319 Causes serious eye irritation71.4% of notifiers

Aggregated from 147 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P405, P501

Identifiers

CAS number

88-53-9

SMILES

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

InChIKey

VYZCFAPUHSSYCC-UHFFFAOYSA-N

InChI

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

17 names · show all

Benzenesulfonic acid, 2-amino-5-chloro-4-methyl-
p-Toluenesulfonic acid, 2-amino-5-chloro-
2-Amino-5-chloro-4-methylbenzenesulfonic acid
o-Chloro-m-toluidine-p-sulfonic acid
2-Chloro-5-toluidine-4-sulfonic acid
Lake red C amine
2-Amino-5-chloro-p-toluenesulfonic acid
Red lake C amine
2-Amino-4-methyl-5-chlorobenzenesulfonic acid
5-Amino-2-chlorotoluene-4-sulfonic acid
2-Chloro-5-aminotoluene-4-sulfonic acid
1-Amino-4-chloro-5-methylbenzene-2-sulfonic acid
3-Amino-6-chlorotoluene-4-sulfonic acid
4B Acid
CLT acid
2-Amino-5-chloro-4-methylbenzensulfonic acid
2-Amino-5-chloro-4-methylbenzene-1-sulfonic acid

Work with C Amine

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

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 2,4,5-Trichlorobenzenesulfonic acid6378-25-256 % similar 4-Chloro-5-methylbenzene-1,2-diamine63155-04-455 % similar 4-Amino-5-methoxy-2-toluenesulfonic acid6471-78-954 % similar Sodium 2-amino-4-chloro-5-methylbenzenesulfonate6627-59-454 % similar

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

Same formula

2-Amino-4-chloro-5-methylbenzenesulfonic acid88-51-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook