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Benzene,2-methoxy-1,4-dinitro-

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Name

Benzene,2-methoxy-1,4-dinitro-

EINECS N/A
CAS No. 3962-77-4 Density 1.444 g/cm3
PSA 100.87000 LogP 2.55800
Solubility N/A Melting Point 97°C
Formula C7H6N2O5 Boiling Point 363.4 °C at 760 mmHg
Molecular Weight 198.135 Flash Point 188.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 3962-77-4 (2,5-DINITROANISOLE) Hazard Symbols N/A
Synonyms

Anisole,2,5-dinitro- (7CI,8CI);2,5-Dinitroanisole;

 

Benzene,2-methoxy-1,4-dinitro- Specification

The Benzene, 2-methoxy-1, 4-dinitro-, with the CAS registry number 3962-77-4, is also known as 2, 5-Dinitroanisole. This chemical's molecular formula is C7H6N2O5 and molecular weight is 198.13294. What's more, its systematic name is 2, 5-Dinitrophenyl methyl ether.

Physical properties about Benzene, 2-methoxy-1, 4-dinitro- are: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.45; (4)ACD/LogD (pH 7.4): 1.45; (5)ACD/BCF (pH 5.5): 7.48; (6)ACD/BCF (pH 7.4): 7.48; (7)ACD/KOC (pH 5.5): 147.02; (8)ACD/KOC (pH 7.4): 147.02; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 100.87 Å2; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 46.02 cm3; (15)Molar Volume: 137.1 cm3; (16)Polarizability: 18.24×10-24 cm3; (17)Surface Tension: 55.8 dyne/cm; (18)Density: 1.444 g/cm3; (19)Flash Point: 188.7 °C; (20)Enthalpy of Vaporization: 58.55 kJ/mol; (21)Boiling Point: 363.4 °C at 760 mmHg; (22)Vapour Pressure: 3.79E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1cc(ccc1N(=O)=O)N(=O)=O
(2) InChI: InChI=1/C7H6N2O5/c1-14-7-4-5(8(10)11)2-3-6(7)9(12)13/h2-4H,1H3
(3) InChIKey: MUBJXSCTPOBLCX-UHFFFAOYAP

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