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| CAS No.: | 2142-66-7 |
|---|---|
| Name: | 2-PHENYLBENZOYL METHIDE |
| Molecular Structure: | |
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| Formula: | C14H12O |
| Molecular Weight: | 196.249 |
| Synonyms: | 1-Biphenyl-2-ylethanone;2-Acetyl-1,1'-biphenyl;2-Acetylbiphenyl;o-Phenylacetophenone;Acetophenone,2'-phenyl- (6CI,7CI,8CI);1-Biphenyl-2-ylethanone; |
| EINECS: | 249-962-5 |
| Density: | 1.053 g/cm3 |
| Melting Point: | 56-56.5 °C |
| Boiling Point: | 337.4 °C at 760 mmHg |
| Flash Point: | 146.1 °C |
| PSA: | 17.07000 |
| LogP: | 3.55620 |
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Specification
The Ethanone,1-[1,1'-biphenyl]-2-yl-, with the CAS registry number 2142-66-7, is also known as o-Phenylacetophenone. Its EINECS number is 249-962-5. This chemical's molecular formula is C14H12O and molecular weight is 196.24. What's more, its systematic name is 1-biphenyl-2-ylethanone.
Physical properties of Ethanone,1-[1,1'-biphenyl]-2-yl- are: (1)ACD/LogP: 2.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.87; (4)ACD/LogD (pH 7.4): 2.87; (5)ACD/BCF (pH 5.5): 89.74; (6)ACD/BCF (pH 7.4): 89.74; (7)ACD/KOC (pH 5.5): 870.07; (8)ACD/KOC (pH 7.4): 870.07; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 60.87 cm3; (15)Molar Volume: 186.2 cm3; (16)Polarizability: 24.13×10-24cm3; (17)Surface Tension: 39.1 dyne/cm; (18)Density: 1.053 g/cm3; (19)Flash Point: 146.1 °C; (20)Enthalpy of Vaporization: 58.07 kJ/mol; (21)Boiling Point: 337.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000105 mmHg at 25°C.
Preparation: this chemical can be prepared by acetic acid anhydride and Biphenyl-2-ylmagnesiumjodid at the temperature of 5 - 10 °C. This reaction will need solvent diethyl ether with the reaction time of 0.5 hour. The yield is about 64%.
![Ethanone,1-[1,1'-biphenyl]-2-yl- can be prepared by acetic acid anhydride and Biphenyl-2-ylmagnesiumjodid at the temperature of 5 - 10 °C](/UserFilesUpload/Preparation of Ethanone,1-[1,1'-biphenyl]-2-yl-.jpg)
Uses of Ethanone,1-[1,1'-biphenyl]-2-yl-: it can be used to produce 2-biphenylylacetothiomorpholide by heating. It will need reagent sulfur with the reaction time of 3 hours. The yield is about 88%.
![Ethanone,1-[1,1'-biphenyl]-2-yl- can be used to produce 2-biphenylylacetothiomorpholide by heating](/UserFilesUpload/Uses of Ethanone,1-[1,1'-biphenyl]-2-yl-.jpg)
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c2ccccc2c1ccccc1)C
(2)InChI: InChI=1S/C14H12O/c1-11(15)13-9-5-6-10-14(13)12-7-3-2-4-8-12/h2-10H,1H3
(3)InChIKey: XZWYAMYRMMMHKM-UHFFFAOYSA-N