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CAS No.: | 5633-36-3 |
---|---|
Name: | [3-(4-nitrophenyl)oxiran-2-yl](phenyl)methanone |
Article Data: | 19 |
Molecular Structure: | |
Formula: | C15H11NO4 |
Molecular Weight: | 269.257 |
Synonyms: | Propiophenone,2,3-epoxy-3-(p-nitrophenyl)-(7CI,8CI);Methanone,[3-(4-nitrophenyl)oxiranyl]phenyl-(9CI);NSC 409749; |
Density: | 1.364 g/cm3 |
Boiling Point: | 456 °C at 760 mmHg |
Flash Point: | 208.8 °C |
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The CAS registry number of Methanone,[3-(4-nitrophenyl)-2-oxiranyl]phenyl- is 5633-36-3. The IUPAC name is [3-(4-nitrophenyl)oxiran-2-yl]-phenylmethanone. In addition, the molecular formula is C15H11NO4 and the molecular weight is 269.25. It is also called 4-Nitrochalcone oxide. What's more, it should be stored in a cool and dry place.
Physical properties about Methanone,[3-(4-nitrophenyl)-2-oxiranyl]phenyl- are: (1)ACD/LogP: 2.46; (2)ACD/LogD (pH 5.5): 2.45; (3)ACD/LogD (pH 7.4): 2.45; (4)ACD/BCF (pH 5.5): 43.21; (5)ACD/BCF (pH 7.4): 43.21; (6)ACD/KOC (pH 5.5): 515.68; (7)ACD/KOC (pH 7.4): 515.68; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 75.42 Å2; (11)Index of Refraction: 1.644; (12)Molar Refractivity: 71.46 cm3; (13)Molar Volume: 197.3 cm3; (14)Polarizability: 28.33 ×10-24cm3; (15)Surface Tension: 61.7 dyne/cm; (16)Density: 1.364 g/cm3; (17)Flash Point: 208.8 °C; (18)Enthalpy of Vaporization: 71.59 kJ/mol; (19)Boiling Point: 456 °C at 760 mmHg; (20)Vapour Pressure: 1.68E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(cc1)C3OC3C(=O)c2ccccc2
(2)InChI: InChI=1/C15H11NO4/c17-13(10-4-2-1-3-5-10)15-14(20-15)11-6-8-12(9-7-11)16(18)19/h1-9,14-15H
(3)InChIKey: QGQILXBVXCHHOM-UHFFFAOYAG