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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 | Hazard Symbols | N/A | |
Synonyms |
1,3-Dibenzyloxy-4,6-dinitrobenzene; |
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