Methyl phenyl sulfone

• CAS: 3112-85-4
• Catalog Number: ACM3112854
• Category: Other Products
• Molecular Weight: 156.2
• Molecular Formula: C₇H₈O₂S
• Synonyms: Sulfone, methyl phenyl, Phenyl methyl sulfone, (Methylsulfonyl)benzene, (Phenylsulfonyl)methane, Benzene, (methylsulfonyl)-, METHYL PHENYL SULFONE, methylsulfonyl-benzene, (Methylsulphonyl)benzene, Bionet2_000393, 68742_FLUKA, EINECS 221-476-8, NSC 41587, Benzene, (methylsulfonyl)- (9CI), NSC41587, BRN 1906914, ZINC00165307, LS-148003, ST5409644, 4-06-00-01468 (Beilstein Handbook Reference), 3112-85-4
• IUPAC Name: methylsulfonylbenzene
• SMILES: CS(=O)(=O)C1=CC=CC=C1
• InChI Key: JCDWETOKTFWTHA-UHFFFAOYSA-N
• Melting Point: 85-88ºC
• Flash Point: 171.4ºC
• Density: 1.19 g/cm³
• Appearance: white to off-white crystals
• EC Number: 221-476-8
• Exact Mass: 156.02500
• Hazard Statements: Xn:Harmful
• H-Bond Acceptor: 2
• H-Bond Donor: 0
• Safety Description: S22-S24/25
• WGK Germany: 3

Synthetic Use

Upstream Synthesis Route 1

• 100-68-5

• 3112-85-4

Reference: [1]Gokel, George W.; Gerdes, Harold M.; Dishong, Dennis M.
[Journal of Organic Chemistry, 1980, vol. 45, # 18, p. 3634 - 3639]

Downstream Synthesis Route 1

• 3112-85-4

• 1521-51-3

Reference: [1] Journal of Organic Chemistry, 1986, vol. 51, # 17, p. 3369 - 3371

Downstream Synthesis Route 2

• 3112-85-4
• 7726-95-6

• 74-83-9
• 108-86-1
• 583-53-9

Reference: [1] Recueil des Travaux Chimiques des Pays-Bas, 1911, vol. 30, p. 417

Downstream Synthesis Route 3

• 3112-85-4
• 814-49-3

• 56069-39-7

Reference: [1] Journal of the American Chemical Society, 2011, vol. 133, # 13, p. 4702 - 4705
[2] Journal of the American Chemical Society, 2016, vol. 138, # 27, p. 8332 - 8335
[3] Journal of the Chemical Society - Perkin Transactions 1, 1998, # 24, p. 4097 - 4102
[4] Journal of the American Chemical Society, 2014, vol. 136, # 33, p. 11602 - 11605

Downstream Synthesis Route 4

• 106-30-9
• 3112-85-4

• 27839-93-6

Reference: [1]Acta Chemica Scandinavica (1947),1970,vol. 24,p. 561 - 568

Downstream Synthesis Route 5

• 3112-85-4
• 94-30-4

• 27918-37-2

Reference: [1]Acta Chemica Scandinavica (1947),1970,vol. 24,p. 561 - 568

* For details of the synthesis route, please refer to the original source to ensure accuracy.