Methanone,[3-(4-nitrophenyl)-2-oxiranyl]phenyl- supplier

Name
[3-(4-nitrophenyl)oxiran-2-yl](phenyl)methanone
EINECS
CAS No. 5633-36-3
Article Data19
CAS DataBase
Density 1.364 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₁NO₄
Boiling Point 456 °C at 760 mmHg
Molecular Weight 269.257
Flash Point 208.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Propiophenone,2,3-epoxy-3-(p-nitrophenyl)-(7CI,8CI);Methanone,[3-(4-nitrophenyl)oxiranyl]phenyl-(9CI);NSC 409749;
PSA
LogP

Methanone,[3-(4-nitrophenyl)-2-oxiranyl]phenyl- Specification

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

Product Name

[3-(4-nitrophenyl)oxiran-2-yl](phenyl)methanone

Methanone,[3-(4-nitrophenyl)-2-oxiranyl]phenyl- Specification

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