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Substance Name: 4-Nitrobenzenesulfonamide
RN: 6325-93-5
UNII: TUF52O8Y8B
InChIKey: QWKKYJLAUWFPDB-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Experimental Pesticide
  • Unspecified / Unclassified Pesticide

Molecular Formula

  • C6-H6-N2-O4-S

Molecular Weight

  • 202.189
 
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Names and Synonyms

Name of Substance

  • 4-Nitrobenzenesulfonamide

Synonyms

  • 4-11-00-00193 (Beilstein Handbook Reference)
  • 4-Nitrobenzenesulfonamide
  • 4-Nitrobenzolesulfamide
  • BRN 2214218
  • EINECS 228-691-6
  • NSC 31148
  • p-Nitrobenzenesulfonamide
  • p-Nitrophenylsulfonamide
  • UNII-TUF52O8Y8B

Systematic Names

  • 4-Nitrobenzenesulphonamide
  • Benzenesulfonamide, 4-nitro-
  • Benzenesulfonamide, p-nitro-

Registry Numbers

CAS Registry Number

  • 6325-93-5

FDA UNII

  • TUF52O8Y8B

System Generated Number

  • 0006325935

Structure Descriptors

InChI

1S/C6H6N2O4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H,(H2,7,11,12)

InChIKey

QWKKYJLAUWFPDB-UHFFFAOYSA-N

Smiles

c1(ccc([N+](=O)[O-])cc1)S(N)(=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo oral 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 34, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 178-180 deg C   EXP
log P (octanol-water) 0.64 (none)   EXP
Water Solubility 4940 mg/L 25 EST
Vapor Pressure 7.82E-06 mm Hg 25 EST
Henry's Law Constant 1.67E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.21E-14 cm3/molecule-sec 25 EST

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