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1-Methyl-4-(methylsulfonyl)-benzene

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1-Methyl-4-(methylsulfonyl)-benzene Basic information

Product Name:
1-Methyl-4-(methylsulfonyl)-benzene
Synonyms:
  • 1-Methansulfonyl-4-methylbenzen
  • 1-Methansulfonyl-4-methylbenzene
  • 1-Methyl-4-(methyl-sulphonyl)benzene
  • Benzene,1-methyl-4-(methylsulfonyl)-
  • Methyl 4-tolyl sulfone
  • p-Tolyl methyl sulfone
  • Sulfone, methyl p-tolyl
  • P-METHYL SULFONYL TOLUENE
CAS:
3185-99-7
MF:
C8H10O2S
MW:
170.23
EINECS:
221-682-8
Product Categories:
  • Building Blocks
  • Chemical Synthesis
  • Organic Building Blocks
  • Sulfones
  • Sulfur Compounds
  • Boron, Nitrile, Thio,& TM-Cpds
  • 3185-99-7
  • bc0001
Mol File:
3185-99-7.mol
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1-Methyl-4-(methylsulfonyl)-benzene Chemical Properties

Melting point:
85-89 °C(lit.)
Boiling point:
140 °C / 3mmHg
Density 
1.2238 (rough estimate)
refractive index 
1.5320 (estimate)
storage temp. 
Sealed in dry,Room Temperature
form 
powder to crystal
color 
White to Almost white
BRN 
607296
InChI
InChI=1S/C8H10O2S/c1-7-3-5-8(6-4-7)11(2,9)10/h3-6H,1-2H3
InChIKey
YYDNBUBMBZRNQQ-UHFFFAOYSA-N
SMILES
C1(C)=CC=C(S(C)(=O)=O)C=C1
CAS DataBase Reference
3185-99-7(CAS DataBase Reference)
NIST Chemistry Reference
Benzene, 1-methyl-4-(methylsulfonyl)-(3185-99-7)
EPA Substance Registry System
Benzene, 1-methyl-4-(methylsulfonyl)- (3185-99-7)
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Safety Information

Hazard Codes 
Xn,F
Risk Statements 
22-37/38-41
Safety Statements 
26-36-24/25
WGK Germany 
1
HazardClass 
IRRITANT
HS Code 
29309090

MSDS

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1-Methyl-4-(methylsulfonyl)-benzene Usage And Synthesis

Application

1-Methyl-4-(methylsulfonyl)-benzene is widely used in the synthesis of the medical antibiotic sulfone toxin, the veterinary antibacterial drug fluprofen, the agricultural herbicide sulfadiazine, and as an important intermediate in organic synthesis, and has significant value.

Chemical Properties

WHITE TO LIGHT BEIGE CRYSTALLINE POWDER

Synthesis Reference(s)

Tetrahedron Letters, 32, p. 2933, 1991 DOI: 10.1016/0040-4039(91)80653-N
The Journal of Organic Chemistry, 22, p. 1129, 1957 DOI: 10.1021/jo01360a621

1-Methyl-4-(methylsulfonyl)-benzene Preparation Products And Raw materials

Preparation Products

Raw materials

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