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Benzene,1,2-dimethyl-3,5-dinitro-

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Name

Benzene,1,2-dimethyl-3,5-dinitro-

EINECS N/A
CAS No. 616-69-3 Density 1.346 g/cm3
PSA 91.64000 LogP 3.16620
Solubility N/A Melting Point N/A
Formula C8H8N2O4 Boiling Point 334.9 °C at 760 mmHg
Molecular Weight 196.163 Flash Point 165.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 616-69-3 (3-NIRO-O-XYLENE) Hazard Symbols N/A
Synonyms

1,2-Dimethyl-3,5-dinitrobenzene;2,3-Dimethyl-1,5-dinitrobenzene;3,5-Dinitro-o-xylene;

Article Data 7

Benzene,1,2-dimethyl-3,5-dinitro- Specification

The Benzene,1,2-dimethyl-3,5-dinitro-, with the CAS registry number 616-69-3, is also known as 2,3-Dimethyl-1,5-dinitrobenzene. This chemical's molecular formula is C8H8N2O4 and molecular weight is 196.16. What's more, its systematic name is 1,2-dimethyl-3,5-dinitrobenzene.

Physical properties of Benzene,1,2-dimethyl-3,5-dinitro- are: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.54; (4)ACD/LogD (pH 7.4): 2.54; (5)ACD/BCF (pH 5.5): 49.86; (6)ACD/BCF (pH 7.4): 49.86; (7)ACD/KOC (pH 5.5): 571.28; (8)ACD/KOC (pH 7.4): 571.28; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 91.64 Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 48.99 cm3; (15)Molar Volume: 145.6 cm3; (16)Polarizability: 19.42×10-24cm3; (17)Surface Tension: 53.2 dyne/cm; (18)Density: 1.346 g/cm3; (19)Flash Point: 165.6 °C; (20)Enthalpy of Vaporization: 55.5 kJ/mol; (21)Boiling Point: 334.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000241 mmHg at 25°C.

Preparation: this chemical can be prepared by acetic acid anhydride at the temperature of 35°C. This reaction will need reagent 2 percent sulfuric acid with the reaction time of 18 hours. The yield is about 82%.

Benzene,1,2-dimethyl-3,5-dinitro- can be prepared by acetic acid anhydride at the temperature of 35°C

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc([N+]([O-])=O)cc(c1C)C
(2)Std. InChI: InChI=1S/C8H8N2O4/c1-5-3-7(9(11)12)4-8(6(5)2)10(13)14/h3-4H,1-2H3
(3)Std. InChIKey: FHCBGLKAGXVKHS-UHFFFAOYSA-N

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