CAS No.4974-57-6,P-NITROPHENYLGLYOXAL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4974-57-6
Name:	P-NITROPHENYLGLYOXAL
Article Data:	56

Formula:	C₈H₅NO₄
Molecular Weight:	179.132
Synonyms:	Glyoxal,(p-nitrophenyl)- (6CI,7CI,8CI);4-Nitrophenylglyoxal;NSC 156301;p-Nitrophenylglyoxal;para-Nitrophenylglyoxal;(4-nitrophenyl)(oxo)acetaldehyde;benzeneacetaldehyde, 4-nitro-α-oxo-;
Density:	1.376 g/cm³
Melting Point:	96-98℃
Boiling Point:	321.4 °C at 760 mmHg
Flash Point:	163 °C
PSA:	79.96000
LogP:	1.49960

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Specification

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%.

Benzeneacetaldehyde,4-nitro-a-oxo- can react with 3-benzyloxy-pyridin-2-ylamine to produce 8-benzyloxy-2-(4-nitro-phenyl)-imidazo[1,2-a]pyridin-3-ol

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