5-Amino-2-methylbenzenesulfonic acid

C7H9NO3SCAS 118-88-7187.21 g/mol

Open in Covalent MOL file
NH2SOOHO
Primary amineSulfonic acid

Properties

Molecular formula
C7H9NO3S
Molar mass
187.21 g/mol
Exact mass
187.0303 Da
Melting point
above 300 °C
logP
0.82Crippen estimate
Polar surface area
80.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 7 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
118-88-7
SMILES
Cc1ccc(N)cc1S(=O)(=O)O
InChIKey
BRKFTWHPLMMNHF-UHFFFAOYSA-N
InChI
InChI=1S/C7H9NO3S/c1-5-2-3-6(8)4-7(5)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)

Weigh it out

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

Names and synonyms

16 names · show all
  • Benzenesulfonic acid, 5-amino-2-methyl-
  • o-Toluenesulfonic acid, 5-amino-
  • 5-Amino-2-methyl-1-sulfobenzene
  • 4-Amino-2-sulfotoluene
  • 5-Amino-o-toluenesulfonic acid
  • 4-Methyl-3-sulfoaniline
  • p-Toluidine-o-sulfonic acid
  • 3-Amino-6-methylbenzenesulfonic acid
  • 3-Sulfo-4-methylaniline
  • 4-Aminotoluene-2-sulfonic acid
  • 4-Toluidine-3-sulfonic acid
  • 1-Amino-4-methylbenzene-3-sulfonic acid
  • NSC 22958
  • NSC 5586
  • 4-Methylaniline-3-sulfonic acid
  • 2-Methyl-5-amino benzene sulfonic acid

Work with 5-Amino-2-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

Similar compounds

2,2′-Benzidinedisulfonic acid117-61-366 % similar 2,5-Dimethylbenzenesulfonic acid609-54-164 % similar 2,5-Diaminobenzenesulfonic acid88-45-964 % similar 5-Amino-2-methylbenzenesulfonamide6973-09-762 % similar 4,4′-Diamino-2,2′-stilbenedisulfonic acid81-11-860 % similar 5-Amino-2-chlorobenzenesulfonic acid88-43-760 % similar 5-Amino-2-methoxybenzenesulfonic acid6470-17-359 % similar 2,4-Diaminobenzenesulfonic acid88-63-159 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methoxybenzenesulfonamide1129-26-6 4-Pyridineethanesulfonic acid53054-76-5 3-Amino-4-methylbenzenesulfonic acid618-03-1 2-Pyridineethanesulfonic acid68922-18-9 (4-Hydroxy-thiazol-2-yl)acetic acid ethyl ester79878-57-2 2-Amino-5-methylbenzenesulfonic acid88-44-8 2-Amino-4-(methylsulfonyl)phenol98-30-6 4-Amino-3-methylbenzenesulfonic acid98-33-9

Elsewhere

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