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Substance Name: Methyl phenyl sulfone
RN: 3112-85-4
UNII: 150B65AI4O
InChIKey: JCDWETOKTFWTHA-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Insecticide

Molecular Formula

  • C7-H8-O2-S

Molecular Weight

  • 156.204
 
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Names and Synonyms

Name of Substance

  • Methyl phenyl sulfone

Synonyms

  • (Methylsulfonyl)benzene
  • (Phenylsulfonyl)methane
  • 4-06-00-01468 (Beilstein Handbook Reference)
  • BRN 1906914
  • EINECS 221-476-8
  • Methyl phenyl sulfone
  • NSC 41587
  • Phenyl methyl sulfone
  • UNII-150B65AI4O

Systematic Names

  • (Methylsulphonyl)benzene
  • Benzene, (methylsulfonyl)-
  • Benzene, (methylsulfonyl)- (9CI)
  • Sulfone, methyl phenyl

Registry Numbers

CAS Registry Number

  • 3112-85-4

FDA UNII

  • 150B65AI4O

System Generated Number

  • 0003112854

Structure Descriptors

InChI

1S/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3

InChIKey

JCDWETOKTFWTHA-UHFFFAOYSA-N

Smiles

c1(ccccc1)S(C)(=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 1470mg/kg (1470mg/kg)   Pesticide Biochemistry and Physiology. Vol. 1, Pg. 356, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 86 deg C   EXP
log P (octanol-water) 0.5 (none)   EXP
Water Solubility 2.27E+04 mg/L 25 EST
Vapor Pressure 2.99E-03 mm Hg 25 EST
Henry's Law Constant 1.25E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.48E-12 cm3/molecule-sec 25 EST

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