Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzeneacetaldehyde,4-nitro-a-oxo- |
EINECS | N/A |
CAS No. | 4974-57-6 | Density | 1.376 g/cm3 |
PSA | 79.96000 | LogP | 1.49960 |
Solubility | N/A | Melting Point |
96-98℃ |
Formula | C8H5NO4 | Boiling Point | 321.4 °C at 760 mmHg |
Molecular Weight | 179.132 | Flash Point | 163 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Glyoxal,(p-nitrophenyl)- (6CI,7CI,8CI);4-Nitrophenylglyoxal;NSC 156301;p-Nitrophenylglyoxal;para-Nitrophenylglyoxal;(4-nitrophenyl)(oxo)acetaldehyde;benzeneacetaldehyde, 4-nitro-α-oxo-; |
Article Data | 56 |
The Benzeneacetaldehyde,4-nitro-a-oxo-, with the CAS registry number 4974-57-6, has the systematic name of (4-nitrophenyl)(oxo)acetaldehyde. It is also called para-Nitrophenylglyoxal. And the molecular formula of this chemical is C8H5NO4.
The physical properties of Benzeneacetaldehyde,4-nitro-a-oxo- are as following: (1)ACD/LogP: 0.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.91; (4)ACD/LogD (pH 7.4): 0.91; (5)ACD/BCF (pH 5.5): 2.9; (6)ACD/BCF (pH 7.4): 2.9; (7)ACD/KOC (pH 5.5): 74.53; (8)ACD/KOC (pH 7.4): 74.53; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 79.96 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 43.01 cm3; (15)Molar Volume: 130.1 cm3; (16)Polarizability: 17.05×10-24cm3; (17)Surface Tension: 56.5 dyne/cm; (18)Density: 1.376 g/cm3; (19)Flash Point: 163 °C; (20)Enthalpy of Vaporization: 56.32 kJ/mol; (21)Boiling Point: 321.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000298 mmHg at 25°C.
Uses of Benzeneacetaldehyde,4-nitro-a-oxo-: It can react with 3-benzyloxy-pyridin-2-ylamine to produce 8-benzyloxy-2-(4-nitro-phenyl)-imidazo[1,2-a]pyridin-3-ol. This reaction will need reagent BF3.Et2O, and the solvent CH2Cl2. The reaction time is 25 hours, and the yield is about 78%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1ccc(C(=O)C=O)cc1
(2)InChI: InChI=1/C8H5NO4/c10-5-8(11)6-1-3-7(4-2-6)9(12)13/h1-5H
(3)InChIKey: ILVKBBGIGNSVDO-UHFFFAOYAC