Name: 1,2-DICHLORO-4,5-DINITRO-BENZENE
SKU: 6306-39-4

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Basic Information

Molecular Structure:
CAS No.:	6306-39-4
Name:	1,2-DICHLORO-4,5-DINITRO-BENZENE
Article Data:	9

Formula:	C6H2 Cl2 N2 O4
Molecular Weight:	236.999
Synonyms:	1,2-Dichloro-4,5-dinitrobenzene;1,2-Dinitro-4,5-dichlorobenzene;4,5-Dichloro-1,2-dinitrobenzene;NSC 22945;
Density:	1.729 g/cm³
Melting Point:	105-107 °C(lit.)
Boiling Point:	352.3 °C at 760 mmHg
Flash Point:	166.9 °C
Safety:	22-24/25
Transport Information:	UN 2811 6.1/PG 3
PSA:	91.64000
LogP:	3.85620

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Specification

The cas register number of 1,2-Dichloro-4,5-dinitrobenzene is 6306-39-4. It also can be called as Benzene, 1,2-dichloro-4,5-dinitro- and the IUPAC Name about this chemical is 1,2-dichloro-4,5-dinitrobenzene. It belongs to the following product categories, such as D, Stains and Dyes, Stains&Dyes, A to and so on. When you are using it, please not breathe dust and avoid contact with skin and eyes.

Physical properties about 1,2-Dichloro-4,5-dinitrobenzene are: (1)ACD/LogP: 3.20; (2)ACD/LogD (pH 5.5): 3.2; (3)ACD/LogD (pH 7.4): 3.2; (4)ACD/BCF (pH 5.5): 159.9; (5)ACD/BCF (pH 7.4): 159.9; (6)ACD/KOC (pH 5.5): 1315.6; (7)ACD/KOC (pH 7.4): 1315.6; (8)#H bond acceptors: 6 ; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 91.64 Å²; (11)Index of Refraction: 1.636; (12)Molar Refractivity: 49.13 cm³; (13)Molar Volume: 137 cm³; (14)Polarizability: 19.47x10^-24cm³; (15)Surface Tension: 65.6 dyne/cm; (16)Enthalpy of Vaporization: 57.35 kJ/mol; (17)Boiling Point: 352.3 °C at 760 mmHg; (18)Vapour Pressure: 7.87E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc([N+]([O-])=O)c(cc1Cl)[N+]([O-])=O
(2)InChI: InChI=1/C6H2Cl2N2O4/c7-3-1-5(9(11)12)6(10(13)14)2-4(3)8/h1-2H
(3)InChIKey: IGSAVPVCQHAPSM-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C6H2Cl2N2O4/c7-3-1-5(9(11)12)6(10(13)14)2-4(3)8/h1-2H
(5)Std. InChIKey: IGSAVPVCQHAPSM-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LDLo	intraperitoneal	125mg/kg (125mg/kg)		"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 6, Pg. 53, 1954.