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Substance Name: p-Tolylsulfonylmethylnitrosamide
RN: 80-11-5
UNII: K3089966LA
InChIKey: FFKZOUIEAHOBHW-UHFFFAOYSA-N

Note

  • Noncarcinogenic cpd involved in transnitrosating activity in rats & human gastric juice.

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C8-H10-N2-O3-S

Molecular Weight

  • 214.244
 
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Names and Synonyms

Name of Substance

  • Diazalo
  • p-Tolylsulfonylmethylnitrosamide

Synonyms

  • 4-11-00-00478 (Beilstein Handbook Reference)
  • AI3-52479
  • Benzenesulfonamide, N,4-dimethyl-N-nitroso-
  • BRN 2214345
  • Diazald
  • Diazale
  • EINECS 201-252-6
  • HSDB 5234
  • Methylnitroso-p-toluenesulfonamide
  • N-Methyl-N-nitroso-p-toluenesulfonamide
  • N-Methyl-N-nitroso-p-tolylsulfonylamide
  • N-Nitroso-N-methyl-4-tolylsulfonamide
  • N-Nitroso-N-methyl-p-toluenesulfamide
  • NSC 313
  • p-Toluenesulfonamide, N-methyl-N-nitroso-
  • p-Tolylsulfonyl-methyl-nitrosamid
  • p-Tolylsulfonyl-methyl-nitrosamid [German]
  • p-Tolylsulfonylmethylnitrosamide
  • p-Tolylsulfonylmethylnitrosamine
  • Toluene-p-sulfonylmethylnitrosamide
  • UNII-K3089966LA

Systematic Names

  • Benzenesulfonamide, N,4-dimethyl-N-nitroso-
  • N-Methyl-N-nitrosotoluene-4-sulphonamide
  • p-Toluenesulfonamide, N-methyl-N-nitroso-

Registry Numbers

CAS Registry Number

  • 80-11-5

FDA UNII

  • K3089966LA

Other Registry Number

  • 97451-34-8

System Generated Number

  • 0000080115

Structure Descriptors

InChI

1S/C8H10N2O3S/c1-7-3-5-8(6-4-7)14(12,13)10(2)9-11/h3-6H,1-2H3

InChIKey

FFKZOUIEAHOBHW-UHFFFAOYSA-N

Smiles

c1(S(N(N=O)C)(=O)=O)ccc(C)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 19mg/kg (19mg/kg)   Cancer Research. Vol. 30, Pg. 11, 1970.
rat LD50 oral 2700mg/kg (2700mg/kg)   Naturwissenschaften. Vol. 48, Pg. 165, 1961.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 60 deg C   EXP
log P (octanol-water) 0.58 (none)   EXP
Water Solubility 1.18E+04 mg/L 25 EST
Vapor Pressure 4.79E-06 mm Hg 25 EST
Henry's Law Constant 1.27E-07 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.49E-12 cm3/molecule-sec 25 EST

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