Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

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
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Regulatory Agencies (Superlist Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

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