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CAS No.: | 31378-03-7 |
---|---|
Name: | 2-(P-TOLUENESULFONYL)ACETOPHENONE |
Article Data: | 175 |
Molecular Structure: | |
Formula: | C15H14O3S |
Molecular Weight: | 274.34 |
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; |
EINECS: | 250-605-0 |
Density: | 1.227 g/cm3 |
Melting Point: | 109 °C |
Boiling Point: | 478.1 °C at 760 mmHg |
Flash Point: | 304.7 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 59.59000 |
LogP: | 3.73240 |
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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