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Cas Database |
| Name |
Benzene-1,4-d2 |
EINECS | N/A |
| CAS No. | 1684-46-4 | Density | 0.896 g/cm3 |
| PSA | 0.00000 | LogP | 1.68660 |
| Solubility | N/A | Melting Point |
5.9 °C |
| Formula | C6H4D2 | Boiling Point | 78.834 °C at 760 mmHg |
| Molecular Weight | 80.0978 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Benzene-f-d2(7CI);Benzene-p-d2 (8CI);1,4-Dideuteriobenzene;p-Dideuteriobenzene; |
Article Data | 2 |
Benzene-1,4-d2 Specification
The Benzene-1,4-d2 is an organic compound with the formula C6H4D2. With the CAS registry number 1684-46-4, the systematic name of this chemical is (1,4-2H2)Benzene.
Physical properties about Benzene-1,4-d2 are: (1)ACD/LogP: 2.18; (2)ACD/LogD (pH 5.5): 2.177; (3)ACD/LogD (pH 7.4): 2.177; (4)ACD/BCF (pH 5.5): 26.569; (5)ACD/BCF (pH 7.4): 26.569; (6)ACD/KOC (pH 5.5): 364.065; (7)ACD/KOC (pH 7.4): 364.065; (8)Index of Refraction: 1.499; (9)Molar Refractivity: 26.253 cm3; (10)Molar Volume: 89.434 cm3; (11)Polarizability: 10.407×10-24cm3; (12)Surface Tension: 28.853 dyne/cm; (13)Density: 0.896 g/cm3; (14)Enthalpy of Vaporization: 30.72 kJ/mol; (15)Boiling Point: 78.834 °C at 760 mmHg; (16)Vapour Pressure: 100.919 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [2H]c1ccc(cc1)[2H]
(2)InChI: InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,6D
(3)InChIKey: UHOVQNZJYSORNB-UPXKZQJYER
(4)Std. InChI: InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,6D
(5)Std. InChIKey: UHOVQNZJYSORNB-UPXKZQJYSA-N
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