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Substance Name: 3-Chloro-4-methyl-5-nitrobenzenesulfonic acid
RN: 68189-28-6
UNII: TX455W3NVL
InChIKey: PFQCWESEIXPRLI-UHFFFAOYSA-N

Molecular Formula

  • C7-H6-Cl-N-O5-S

Molecular Weight

  • 251.645
 
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Names and Synonyms

Name of Substance

  • 3-Chloro-4-methyl-5-nitrobenzenesulfonic acid

Synonyms

  • EINECS 269-185-5
  • UNII-TX455W3NVL

Systematic Names

  • 2-Chloro-6-nitrotoluene-4-sulphonic acid
  • Benzenesulfonic acid, 3-chloro-4-methyl-5-nitro-

Registry Numbers

CAS Registry Number

  • 68189-28-6

FDA UNII

  • TX455W3NVL

System Generated Number

  • 0068189286

Structure Descriptors

InChI

1S/C7H6ClNO5S/c1-4-6(8)2-5(15(12,13)14)3-7(4)9(10)11/h2-3H,1H3,(H,12,13,14)

InChIKey

PFQCWESEIXPRLI-UHFFFAOYSA-N

Smiles

O=S(=O)(O)c1cc([N+]([O-])=O)c(c(Cl)c1)C