CAS No.32690-28-1,4,5-DINITRO-O-PHENYLENEDIAMINE,98% Suppliers

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Basic Information

Molecular Structure:
CAS No.:	32690-28-1
Name:	4,5-DINITRO-O-PHENYLENEDIAMINE,98%
Article Data:	5

Formula:	C₆H₆N₄O₄
Molecular Weight:	198.138
Synonyms:	o-Phenylenediamine,4,5-dinitro- (7CI,8CI);1,2-Diamino-4,5-dinitrobenzene;1,2-Dinitro-4,5-diaminobenzene;4,5-Dinitro-1,2-benzenediamine;4,5-Dinitro-1,2-diaminobenzene;4,5-Dinitro-1,2-phenylenediamine;4,5-Dinitro-o-phenylenediamine;NSC 170936;
Density:	1.683 g/cm³
Melting Point:	216-218℃
Boiling Point:	541.1 °C at 760mmHg
Flash Point:	281 °C
Appearance:	dark green crystalline powder
Hazard Symbols:	R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.;
Risk Codes:	Xn:Harmful; "> Xn:Harmful;
PSA:	143.68000
LogP:	2.87620

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Specification

This chemical is called 1,2-Benzenediamine,4,5-dinitro-, and its IUPAC name is 4,5-dinitrobenzene-1,2-diamine. With the molecular formula of C₆H₆N₄O₄, its molecular weight is 198.13624. The CAS registry number of this chemical is 32690-28-1.

Other characteristics of the 1,2-Benzenediamine,4,5-dinitro- can be summarised as followings: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.53; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 48.9; (6)ACD/BCF (pH 7.4): 48.9; (7)ACD/KOC (pH 5.5): 563.44; (8)ACD/KOC (pH 7.4): 563.44; (9)#H bond acceptors: 8; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 98.12 Å²; (13)Index of Refraction: 1.747; (14)Molar Refractivity: 47.81 cm³; (15)Molar Volume: 117.6 cm³; (16)Polarizability: 18.95×10^-24cm³; (17)Surface Tension: 97.6 dyne/cm; (18)Density: 1.683 g/cm³; (19)Flash Point: 281 °C; (20)Enthalpy of Vaporization: 81.89 kJ/mol; (21)Boiling Point: 541.1 °C at 760 mmHg; (22)Vapour Pressure: 8.98E-12 mmHg at 25°C.

Uses of this chemical: The 1,2-Benzenediamine,4,5-dinitro- could react with 1-methyl-indole-2,3-dione to obtain the C₁₅H₁₁N₅O₅. This reaction needs the reagent of HCl, and the solvent of ethanol. The yield is 89 %. In addition, this reaction needs the condition of heating.

The 1,2-Benzenediamine,4,5-dinitro- could react with 1-methyl-indole-2,3-dione to obtain the C15H11N5O5

You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c1cc(N)c(N)cc1[N+]([O-])=O
2.InChI: InChI=1/C6H6N4O4/c7-3-1-5(9(11)12)6(10(13)14)2-4(3)8/h1-2H,7-8H2
3.InChIKey: PCSIZKSNIWJKSK-UHFFFAOYAV