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7756-00-5

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Basic Information
CAS No.: 7756-00-5
Name: N,N'-(2,3-DINITRO-1,4-PHENYLENE) BISACETAMIDE
Article Data: 4
Molecular Structure:
Molecular Structure of 7756-00-5 (N,N'-(2,3-DINITRO-1,4-PHENYLENE) BISACETAMIDE)
Formula: C10H10N4O6
Molecular Weight: 282.2096
Synonyms: Acetamide,N,N'-(2,3-dinitro-p-phenylene)bis- (7CI,8CI);N,N'-(2,3-dinitrobenzene-1,4-diyl)diacetamide;
Density: 1.574 g/cm3
Melting Point: 254°C
Boiling Point: 585 °C at 760 mmHg
Flash Point: 307.6 °C
PSA: 149.84000
LogP: 2.61220
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Specification

The Acetamide,N,N'-(2,3-dinitro-1,4-phenylene)bis-, with the CAS registry number 7756-00-5, has the systematic name of N,N'-(2,3-dinitrobenzene-1,4-diyl)diacetamide. And the molecular formula of this chemical is C10H10N4O6. It is a kind of organics, and should be stored in the dry and cool environment.

The physical properties of Acetamide,N,N'-(2,3-dinitro-1,4-phenylene)bis- are as following: (1)ACD/LogP: 0.86; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): 0.85; (5)ACD/BCF (pH 5.5): 2.63; (6)ACD/BCF (pH 7.4): 2.63; (7)ACD/KOC (pH 5.5): 69.5; (8)ACD/KOC (pH 7.4): 69.5; (9)#H bond acceptors: 10; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 132.26 Å2; (13)Index of Refraction: 1.681; (14)Molar Refractivity: 67.88 cm3; (15)Molar Volume: 179.2 cm3; (16)Polarizability: 26.91×10-24cm3; (17)Surface Tension: 73.9 dyne/cm; (18)Density: 1.574 g/cm3; (19)Flash Point: 307.6 °C; (20)Enthalpy of Vaporization: 87.4 kJ/mol; (21)Boiling Point: 585 °C at 760 mmHg; (22)Vapour Pressure: 1.13E-13 mmHg at 25°C.

Preparation of Acetamide,N,N'-(2,3-dinitro-1,4-phenylene)bis-: This chemical can be prepared by N,N'-p-phenylene-bis-acetamide. The reaction will need reagents glacial acetic acid, acetic acid and nitric acid. 

Acetamide,N,N'-(2,3-dinitro-1,4-phenylene)bis- can be prepared by N,N'-p-phenylene-bis-acetamide

Uses of Acetamide,N,N'-(2,3-dinitro-1,4-phenylene)bis-: It can react with pyrrolidine to produce N-(4-acetylamino-3-nitro-2-pyrrolidin-1-yl-phenyl)-acetamide. This reaction will need solvent CHCl3 and heating. And the yield is about 77%. 

Acetamide,N,N'-(2,3-dinitro-1,4-phenylene)bis- can react with pyrrolidine to produce N-(4-acetylamino-3-nitro-2-pyrrolidin-1-yl-phenyl)-acetamide

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccc(c(c1[N+]([O-])=O)[N+]([O-])=O)NC(=O)C)C
(2)InChI: InChI=1/C10H10N4O6/c1-5(15)11-7-3-4-8(12-6(2)16)10(14(19)20)9(7)13(17)18/h3-4H,1-2H3,(H,11,15)(H,12,16)
(3)InChIKey: DGNNIDWBARYYSR-UHFFFAOYAM