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| CAS No.: | 2243-79-0 |
|---|---|
| Name: | 2-Nitrobenzophenone |
| Molecular Structure: | |
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| Formula: | C13H9NO3 |
| Molecular Weight: | 227.219 |
| Synonyms: | Benzophenone,2-nitro- (6CI,7CI,8CI);(2-Nitrophenyl)phenylmethanone;2-Nitrobenzophenone;o-Nitrobenzophenone; |
| Density: | 1.266 g/cm3 |
| Boiling Point: | 407.6 °C at 760 mmHg |
| Flash Point: | 202.4 °C |
| Hazard Symbols: |
 Xi
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| PSA: | 62.89000 |
| LogP: | 3.34900 |
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Specification
The CAS registry number of Methanone,(2-nitrophenyl)phenyl- is 2243-79-0. The IUPAC name is (2-nitrophenyl)-phenylmethanone. In addition, the molecular formula is C13H9NO3 and the molecular weight is 227.22. It should be stored in a airtight, cool and dry place.
Physical properties about this chemical are: (1)ACD/LogP: 2.68; (2)ACD/LogD (pH 5.5): 2.68; (3)ACD/LogD (pH 7.4): 2.68; (4)ACD/BCF (pH 5.5): 63.76; (5)ACD/BCF (pH 7.4): 63.76; (6)ACD/KOC (pH 5.5): 681.25; (7)ACD/KOC (pH 7.4): 681.25; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 62.89 Å2; (11)Index of Refraction: 1.614; (12)Molar Refractivity: 62.59 cm3; (13)Molar Volume: 179.3 cm3; (14)Polarizability: 24.81 ×10-24cm3; (15)Surface Tension: 52.2 dyne/cm; (16)Density: 1.266 g/cm3; (17)Flash Point: 202.4 °C; (18)Enthalpy of Vaporization: 65.95 kJ/mol; (19)Boiling Point: 407.6 °C at 760 mmHg; (20)Vapour Pressure: 7.48E-07 mmHg at 25°C.
Preparation of Methanone,(2-nitrophenyl)phenyl-: it can be prepared by benzoyl fluoride and trimethyl-(2-nitro-phenyl)-silane. This reaction will need catalyst KF and solvent hexamethylphosphoric acid triamide. The reaction time is 6 hours at reaction temperature of 80 °C. The yield is about 59%.
phenyl-.jpg)
Uses of Methanone,(2-nitrophenyl)phenyl-: it can be used to get 2-nitrobenzophenone syn-oxime. This reaction will need reagents NH2OH*HCl and conc. H2SO4. The yield is about 99%.
phenyl-.jpg)
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c2ccccc2C(=O)c1ccccc1
(2)InChI: InChI=1/C13H9NO3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9H
(3)InChIKey: UJHSIDUUJPTLDY-UHFFFAOYAF