-
Name
1,3-DIMETHOXYBENZENE-D10
- EINECS
- CAS No. 340257-57-0
- Density 1.079 g/cm3
- Solubility
- Melting Point
- Formula C8D10O2
- Boiling Point 217.499 °C at 760 mmHg
- Molecular Weight 148.23
- Flash Point 87.778 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 1, 3-Dimethoxybenzene-d10;
- PSA 18.46000
- LogP 1.70380
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
Related Products
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- Benzene-1,2,3,5-d<sub>4</sub>, 4,6-di(methoxy-d<sub>3</sub>)- (9CI)
- Benzene-1,2,4,5-d<sub>4</sub>
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