-
Name
4-NITROPHENYLGLYOXAL HYDRATE
- EINECS
- CAS No. 4996-22-9
- Article Data28
- CAS DataBase
- Density 1.537 g/cm3
- Solubility
- Melting Point
- Formula C8H7NO5
- Boiling Point 356.7 °C at 760 mmHg
- Molecular Weight 197.147
- Flash Point 160 °C
- Transport Information
- Appearance
- Safety
- Risk Codes R20/21/22; R36/37/38
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms Acetophenone,2,2-dihydroxy-4'-nitro- (7CI,8CI);NSC 131639;2,2-dihydroxy-1-(4-nitrophenyl)ethanone;ethanone, 2,2-dihydroxy-1-(4-nitrophenyl)-;
- PSA 89.19000
- LogP 1.43530
Ethanone,2,2-dihydroxy-1-(4-nitrophenyl)- Specification
The Ethanone,2,2-dihydroxy-1-(4-nitrophenyl)-, with the CAS registry number 4996-22-9, has the systematic name of 2,2-dihydroxy-1-(4-nitrophenyl)ethanone. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C8H7NO5.
The characteristics of Ethanone,2,2-dihydroxy-1-(4-nitrophenyl)- are as followings: (1)ACD/LogP: -0.42; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 81.35 Å2; (7)Index of Refraction: 1.634; (8)Molar Refractivity: 45.85 cm3; (9)Molar Volume: 128.1 cm3; (10)Polarizability: 18.17×10-24cm3; (11)Surface Tension: 76.2 dyne/cm; (12)Density: 1.537 g/cm3; (13)Flash Point: 160 °C; (14)Enthalpy of Vaporization: 63.52 kJ/mol; (15)Boiling Point: 356.7 °C at 760 mmHg; (16)Vapour Pressure: 1.05E-05 mmHg at 25°C.
Uses of Ethanone,2,2-dihydroxy-1-(4-nitrophenyl)-: It can react with N,N-dimethyl-hydrazine to produce 2-(dimethyl-hydrazono)-1-(4-nitro-phenyl)-ethanone. This reaction will need reagent ethanol. The reaction time is 24 hours with ambient temperature, and the yield is about 70%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=[N+]([O-])c1ccc(C(=O)C(O)O)cc1
(2)InChI: InChI=1/C8H7NO5/c10-7(8(11)12)5-1-3-6(4-2-5)9(13)14/h1-4,8,11-12H
(3)InChIKey: DUGSDYIJZMWGNA-UHFFFAOYAK
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