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Substance Name: Sulfone, methyl m-nitrophenyl
RN: 2976-32-1
InChIKey: FTJMAAWQEAOBBI-UHFFFAOYSA-N

Molecular Formula

  • C7-H7-N-O4-S

Molecular Weight

  • 201.201
 
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Names and Synonyms

Synonyms

  • 4-06-00-01681 (Beilstein Handbook Reference)
  • BRN 2051366
  • Methyl-m-nitrophenyl sulfone

Systematic Name

  • Sulfone, methyl m-nitrophenyl

Registry Numbers

CAS Registry Number

  • 2976-32-1

System Generated Number

  • 0002976321

Structure Descriptors

InChI

1S/C7H7NO4S/c1-13(11,12)7-4-2-3-6(5-7)8(9)10/h2-5H,1H3

InChIKey

FTJMAAWQEAOBBI-UHFFFAOYSA-N

Smiles

[N+]([O-])(=O)c1cc(S(=O)(=O)C)ccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01891,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.5 (none)   EXP
Water Solubility 6580 mg/L 25 EST
Vapor Pressure 3.39E-05 mm Hg 25 EST
Henry's Law Constant 4.92E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.11E-12 cm3/molecule-sec 25 EST

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