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