4-Acetyldiphenyl sulfone supplier

Name
4-ACETYLDIPHENYL SULFONE
EINECS
CAS No. 65085-83-8
Article Data32
CAS DataBase
Density 1.243 g/cm³
Solubility
Melting Point 138-140 °C
Formula C₁₄H₁₂O₃S
Boiling Point 450.7 °C at 760 mmHg
Molecular Weight 260.313
Flash Point 284.6 °C
Transport Information
Appearance powder
Safety 26
Risk Codes 36
Molecular Structure
Hazard Symbols Xi
Synonyms 1-(4-Phenylsulfonylphenyl)ethanone;4'-(Phenylsulfonyl)acetophenone;NSC 102493;p-Acetylphenyl phenyl sulfone;4-Acetyldiphenyl sulfone;
PSA 59.59000
LogP 3.80280

4-Acetyldiphenyl sulfone 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

Product Name

4-ACETYLDIPHENYL SULFONE

4-Acetyldiphenyl sulfone Specification

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