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Substance Name: Sodium 6-chloro-5-nitrotoluene-3-sulfonate
RN: 535-48-8
UNII: 48J0DG0U8Q
InChIKey: WUQOYVBOBYHOCT-UHFFFAOYSA-M

Molecular Formula

  • C7-H5-Cl-N-O5-S.Na

Molecular Weight

  • 273.6275
 
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Names and Synonyms

Name of Substance

  • Sodium 6-chloro-5-nitrotoluene-3-sulfonate

Synonyms

  • Benzenesulfonic acid, 4-chloro-3-methyl-5-nitro-, sodium salt
  • Benzenesulfonic acid, 4-chloro-3-methyl-5-nitro-, sodium salt (1:1)
  • m-Toluenesulfonic acid, 4-chloro-5-nitro-, sodium salt
  • Sodium 6-chloro-5-nitrotoluene-3-sulfonate
  • Sodium 6-chloro-5-nitrotoluene-3-sulfonate [MI]
  • UNII-48J0DG0U8Q

Registry Numbers

CAS Registry Number

  • 535-48-8

FDA UNII

  • 48J0DG0U8Q

System Generated Number

  • 0000535488

Structure Descriptors

InChI

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

InChIKey

WUQOYVBOBYHOCT-UHFFFAOYSA-M

Smiles

Cc1cc(cc(c1Cl)[N+](=O)[O-])S(=O)(=O)[O-].[Na+]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -1.940 (none)   EST
Atmospheric OH Rate Constant 1.64E-13 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.