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Benzene,1,5-dinitro-2,4-bis(phenylmethoxy)-

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Name

Benzene,1,5-dinitro-2,4-bis(phenylmethoxy)-

EINECS N/A
CAS No. 134637-67-5 Density 1.346 g/cm3
PSA 110.10000 LogP 5.70740
Solubility N/A Melting Point N/A
Formula C20H16N2O6 Boiling Point 588 °C at 760 mmHg
Molecular Weight 380.35 Flash Point 245.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 134637-67-5 (1,3-DIBENZYLOXY-4,6-DINITROBENZENE) Hazard Symbols N/A
Synonyms

1,3-Dibenzyloxy-4,6-dinitrobenzene;

 

Benzene,1,5-dinitro-2,4-bis(phenylmethoxy)- Specification

The Benzene,1,5-dinitro-2,4-bis(phenylmethoxy)-, with the CAS registry number 134637-67-5, is also known as 1,3-Dibenzyloxy-4,6-dinitrobenzene. This chemical's molecular formula is C20H16N2O6 and molecular weight is 380.35. What's more, its systematic name is 1,5-bis(benzyloxy)-2,4-dinitrobenzene.

Physical properties of Benzene,1,5-dinitro-2,4-bis(phenylmethoxy)- are: (1)ACD/LogP: 4.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.7; (4)ACD/LogD (pH 7.4): 4.7; (5)ACD/BCF (pH 5.5): 2210.72; (6)ACD/BCF (pH 7.4): 2210.72; (7)ACD/KOC (pH 5.5): 8622.1; (8)ACD/KOC (pH 7.4): 8622.1; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 110.1 Å2; (13)Index of Refraction: 1.639; (14)Molar Refractivity: 101.67 cm3; (15)Molar Volume: 282.5 cm3; (16)Polarizability: 40.3×10-24cm3; (17)Surface Tension: 56.8 dyne/cm; (18)Density: 1.346 g/cm3; (19)Flash Point: 245.4 °C; (20)Enthalpy of Vaporization: 84.54 kJ/mol; (21)Boiling Point: 588 °C at 760 mmHg; (22)Vapour Pressure: 3.45E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c3c(OCc1ccccc1)cc(OCc2ccccc2)c(c3)[N+]([O-])=O
(2)Std. InChI: InChI=1S/C20H16N2O6/c23-21(24)17-11-18(22(25)26)20(28-14-16-9-5-2-6-10-16)12-19(17)27-13-15-7-3-1-4-8-15/h1-12H,13-14H2
(3)Std. InChIKey: FKDPHGNSRWHEKI-UHFFFAOYSA-N

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