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1684-46-4

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Basic Information
CAS No.: 1684-46-4
Name: Benzene-1,4-d2
Article Data: 2
Molecular Structure:
Molecular Structure of 1684-46-4 (Benzene-1,4-d2)
Formula: C6H4D2
Molecular Weight: 80.0978
Synonyms: Benzene-f-d2(7CI);Benzene-p-d2 (8CI);1,4-Dideuteriobenzene;p-Dideuteriobenzene;
Density: 0.896 g/cm3
Melting Point: 5.9 °C
Boiling Point: 78.834 °C at 760 mmHg
PSA: 0.00000
LogP: 1.68660
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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