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65085-83-8

Basic Information
CAS No.: 65085-83-8
Name: 4-ACETYLDIPHENYL SULFONE
Article Data: 32
Molecular Structure:
Molecular Structure of 65085-83-8 (4-ACETYLDIPHENYL SULFONE)
Formula: C14H12O3S
Molecular Weight: 260.313
Synonyms: 1-(4-Phenylsulfonylphenyl)ethanone;4'-(Phenylsulfonyl)acetophenone;NSC 102493;p-Acetylphenyl phenyl sulfone;4-Acetyldiphenyl sulfone;
Density: 1.243 g/cm3
Melting Point: 138-140 °C
Boiling Point: 450.7 °C at 760 mmHg
Flash Point: 284.6 °C
Appearance: powder
Hazard Symbols: Xi
Risk Codes: 36
Safety: 26
PSA: 59.59000
LogP: 3.80280
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    Debyesci is here who supplied several kinds of chemical products to global pharmaceutical, drug discovery, agrochemical and biotechnology industries for four yearsOur key scientific leadership team has gained experience in top research and developmen

    Debyesci is here who supplied several kinds of chemical products to global pharmaceutical, drug discovery, agrochemical and biotechnology industries for four years Our key scienti

  • Debye Scientific

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+85221376140

    Address:Rm. 19C, Lockhart Ctr., 301-307 Lockhart Rd., Wan Chai

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  • 4-ACETYLDIPHENYL SULFONE

  • Casno:

    65085-83-8

    4-ACETYLDIPHENYL SULFONE

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    high purity Application:Drug intermediates Materials intermediates and active molecules

    Novachemistry offers a broad range of specialty chemicals and customized synthesis services to a range of pharmaceutical, agrochemical and biochemical industries. Novachemistry has

  • NovaChemistry

    United Kingdom  |  Contact Details

    Business Type:Trading Company

    Tel:+44 (0)208 191 7890

    Address:Unit11, Ark Business Centre, Gorden Road, Loughborough, United Kingdom

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Specification

The IUPAC name of 4-Acetyldiphenyl sulfone is 1-[4-(benzenesulfonyl)phenyl]ethanone. With the CAS registry number 65085-83-8, it is also named as Ethanone,1-[4-(phenylsulfonyl)phenyl]-. The product is powder, which should be stored in sealed containers in a cool, dry place away from oxidizing agents. In addition, its molecular formula is C14H12O3S and its molecular weight is 260.31.

The other characteristics of 4-Acetyldiphenyl sulfone can be summarized as: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 59.59 Å2; (7)Index of Refraction: 1.579; (8)Molar Refractivity: 69.64 cm3; (9)Molar Volume: 209.3 cm3; (10)Polarizability: 27.61×10-24cm3; (11)Surface Tension: 44.4 dyne/cm; (12)Density: 1.243 g/cm3; (13)Flash Point: 284.6 °C; (14)Melting Point: 138-140 °C; (15)Enthalpy of Vaporization: 70.96 kJ/mol; (16)Boiling Point: 450.7 °C at 760 mmHg; (17)Vapour Pressure: 2.58E-08 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=S(=O)(c1ccccc1)c2ccc(C(=O)C)cc2
(2)InChI: InChI=1/C14H12O3S/c1-11(15)12-7-9-14(10-8-12)18(16,17)13-5-3-2-4-6-13/h2-10H,1H3
(3)InChIKey: FGFHDNIGKVTTLC-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C14H12O3S/c1-11(15)12-7-9-14(10-8-12)18(16,17)13-5-3-2-4-6-13/h2-10H,1H3
(5)Std. InChIKey: FGFHDNIGKVTTLC-UHFFFAOYSA-N