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Benzene-1,2,3,5-d4, 4,6-di(methoxy-d3)- (9CI)

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Name

Benzene-1,2,3,5-d4, 4,6-di(methoxy-d3)- (9CI)

EINECS N/A
CAS No. 340257-57-0 Density 1.079 g/cm3
PSA 18.46000 LogP 1.70380
Solubility N/A Melting Point N/A
Formula C8D10O2 Boiling Point 217.499 °C at 760 mmHg
Molecular Weight 148.23 Flash Point 87.778 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 340257-57-0 (1,3-DIMETHOXYBENZENE-D10) Hazard Symbols N/A
Synonyms

1, 3-Dimethoxybenzene-d10;

 

Benzene-1,2,3,5-d4, 4,6-di(methoxy-d3)- (9CI) Specification

The Benzene-1, 2, 3, 5-d4, 4, 6-di(methoxy-d3)- (9CI), with the CAS registry number 340257-57-0, is also known as 1, 3-Dimethoxybenzene-d10. This chemical's molecular formula is C8D10O2 and molecular weight is 148.23. What's more, its systematic name is 1, 3-Bis[(2H3)methyloxy](2H4)benzene.

Physical properties about Benzene-1, 2, 3, 5-d4, 4, 6-di(methoxy-d3)- (9CI) are: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.24; (4)ACD/LogD (pH 7.4): 2.24; (5)ACD/BCF (pH 5.5): 29.66; (6)ACD/BCF (pH 7.4): 29.66; (7)ACD/KOC (pH 5.5): 393.908; (8)ACD/KOC (pH 7.4): 393.908; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.488; (14)Molar Refractivity: 39.61 cm3; (15)Molar Volume: 137.438 cm3; (16)Polarizability: 15.703×10-24 cm3; (17)Surface Tension: 29.614 dyne/cm; (18)Density: 1.079 g/cm3; (19)Flash Point: 87.778 °C; (20)Enthalpy of Vaporization: 43.539 kJ/mol; (21)Boiling Point: 217.499 °C at 760 mmHg; (22)Vapour Pressure: 0.195 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [2H]c1c(c(c(c(c1[2H])OC([2H])([2H])[2H])[2H])OC([2H])([2H])[2H])[2H]
(2) InChI: InChI=1/C8H10O2/c1-9-7-4-3-5-8(6-7)10-2/h3-6H,1-2H3/i1D3,2D3,3D,4D,5D,6D
(3) InChIKey: DPZNOMCNRMUKPS-ZGYYUIREEE

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