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1773-46-2

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Basic Information
CAS No.: 1773-46-2
Name: (1E)-1-(2-chlorobenzylidene)-2-(2,4-dinitrophenyl)hydrazine
Article Data: 9
Molecular Structure:
Molecular Structure of 1773-46-2 ((1E)-1-(2-chlorobenzylidene)-2-(2,4-dinitrophenyl)hydrazine)
Formula: C13H9ClN4O4
Molecular Weight: 320.692
Synonyms: Benzaldehyde,2-chloro-, (2,4-dinitrophenyl)hydrazone (9CI);Benzaldehyde, o-chloro-,(2,4-dinitrophenyl)hydrazone (6CI,7CI,8CI);2-Chlorobenzaldehyde(2,4-dinitrophenyl)hydrazone;NSC 6127;o-Chlorobenzaldehyde2,4-dinitrophenylhydrazone;
Density: 1.496 g/cm3
Boiling Point: 486.922 °C at 760 mmHg
Flash Point: 248.282 °C
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Specification

The Benzaldehyde,2-chloro-, 2-(2,4-dinitrophenyl)hydrazone, with the CAS registry number 1773-46-2, has the systematic name of (1E)-1-(2-chlorobenzylidene)-2-(2,4-dinitrophenyl)hydrazine. It is also called N-[(E)-(2-chlorophenyl)methylideneamino]-2,4-dinitroaniline. And the molecular formula of the chemical is C13H9ClN4O4.

The characteristics of Benzaldehyde,2-chloro-, 2-(2,4-dinitrophenyl)hydrazone are as followings: (1)ACD/LogP: 5.20; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6; (4)ACD/LogD (pH 7.4): 6; (5)ACD/BCF (pH 5.5): 10174; (6)ACD/BCF (pH 7.4): 10167; (7)ACD/KOC (pH 5.5): 25713; (8)ACD/KOC (pH 7.4): 25695; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 116.03 Å2; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 79.388 cm3; (15)Molar Volume: 214.35 cm3; (16)Polarizability: 31.472×10-24cm3; (17)Surface Tension: 63.875 dyne/cm; (18)Density: 1.496 g/cm3; (19)Flash Point: 248.282 °C; (20)Enthalpy of Vaporization: 75.272 kJ/mol; (21)Boiling Point: 486.922 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation of Benzaldehyde,2-chloro-, 2-(2,4-dinitrophenyl)hydrazone: This chemical can be prepared by (2,4-dinitro-phenyl)-hydrazine and 2-chloro-benzyl alcohol. The reaction will need reagent N-methylmorpholine N-oxide, catalyst tetra-n-butylammonium per-ruthenate, and the menstruum CH2Cl2. The reaction time is 4 hours with ambient temperature, and the yield is about 81%. 


 
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc2ccccc2/C=N/Nc1ccc([N+]([O-])=O)cc1[N+]([O-])=O
(2)InChI: InChI=1/C13H9ClN4O4/c14-11-4-2-1-3-9(11)8-15-16-12-6-5-10(17(19)20)7-13(12)18(21)22/h1-8,16H/b15-8+
(3)InChIKey: HDZGEETZVVVWMI-OVCLIPMQBB