Ethanone,2-[(4-methylphenyl)sulfonyl]-1-phenyl- supplier

Name
2-(P-TOLUENESULFONYL)ACETOPHENONE
EINECS 250-605-0
CAS No. 31378-03-7
Article Data175
CAS DataBase
Density 1.227 g/cm³
Solubility
Melting Point 109 °C
Formula C₁₅H₁₄O₃S
Boiling Point 478.1 °C at 760 mmHg
Molecular Weight 274.34
Flash Point 304.7 °C
Transport Information
Appearance
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms Acetophenone,2-(p-tolylsulfonyl)- (6CI,8CI);(p-Tolylsulfonyl)benzoylmethane;2-(p-Toluenesulfonyl)acetophenone;2-[(4-Methylphenyl)sulfonyl]-1-phenylethanone;4-Methylphenyl phenacyl sulfone;NSC 140338;Phenacyl p-tolyl sulfone;p-Tolyl phenacyl sulfone;a-(p-Toluenesulfonyl)acetophenone;
PSA 59.59000
LogP 3.73240

Ethanone,2-[(4-methylphenyl)sulfonyl]-1-phenyl- Specification

The CAS register number of Ethanone,2-[(4-methylphenyl)sulfonyl]-1-phenyl- is 31378-03-7. It also can be called as 2-(p-Tolylsulfonyl)acetophenone and the systematic name about this chemical is 2-(4-methylphenyl)sulfonyl-1-phenylethanone. The molecular formula about this chemical is C₁₅H₁₄O₃S and the molecular weight is 274.33.

Physical properties about Ethanone,2-[(4-methylphenyl)sulfonyl]-1-phenyl- are: (1)ACD/LogP: 2.74; (2)ACD/LogD (pH 5.5): 2.74; (3)ACD/LogD (pH 7.4): 2.74; (4)ACD/BCF (pH 5.5): 70.96; (5)ACD/BCF (pH 7.4): 70.96; (6)ACD/KOC (pH 5.5): 735.49; (7)ACD/KOC (pH 7.4): 735.49; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 59.59Å²; (11)Index of Refraction: 1.579; (12)Molar Refractivity: 74.28 cm³; (13)Molar Volume: 223.4 cm³; (14)Polarizability: 29.44x10^-24cm³; (15)Surface Tension: 45.6 dyne/cm; (16)Flash Point: 304.7 °C; (17)Enthalpy of Vaporization: 74.21 kJ/mol; (18)Boiling Point: 478.1 °C at 760 mmHg; (19)Vapour Pressure: 2.66E-09 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-phenyl-2-p-tolylsulfanyl-ethanone. This reaction will need reagent 30percent H₂O₂, acetic acid.

Uses of Ethanone,2-[(4-methylphenyl)sulfonyl]-1-phenyl-: it can be used to produce 2-methanesulfonyl-1-phenyl-2-(toluene-4-sulfonyl)-ethanone with methanesulfonyl chloride. This reaction will need reagent NaOEt and solvent ethanol.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(cc1)C)CC(=O)c2ccccc2
(2)InChI: InChI=1/C15H14O3S/c1-12-7-9-14(10-8-12)19(17,18)11-15(16)13-5-3-2-4-6-13/h2-10H,11H2,1H3
(3)InChIKey: RFQXSRPFYWMUDV-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C15H14O3S/c1-12-7-9-14(10-8-12)19(17,18)11-15(16)13-5-3-2-4-6-13/h2-10H,11H2,1H3
(5)Std. InChIKey: RFQXSRPFYWMUDV-UHFFFAOYSA-N

Product Name

2-(P-TOLUENESULFONYL)ACETOPHENONE

Ethanone,2-[(4-methylphenyl)sulfonyl]-1-phenyl- Specification

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