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2813-62-9

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Basic Information
CAS No.: 2813-62-9
Name: CIS-ETHYLENE-1,2-D2
Article Data: 12
Molecular Structure:
Molecular Structure of 2813-62-9 (CIS-ETHYLENE-1,2-D2)
Formula: C2H2D2
Molecular Weight: 30.0379
Synonyms: Ethene-1,2-d2,(Z)-;Ethylene-1,2-d2, (Z)- (8CI);Ethylene-1,2-d2, cis- (5CI);(Z)-Ethene-1,2-d2;cis-1,2-Dideuterioethylene;cis-1,2-Dideuteriorethene;cis-1,2-Dideuteroethylene;cis-Ethene-1,2-d2;cis-Ethene-d2;cis-Ethylene-1,2-d2;cis-[1,2-2H2]Ethylene;
Density: 0.517 g/cm3
PSA: 0.00000
LogP: 0.80220
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Specification

The Ethene-1,2-d2, (1Z)-(9CI) is an organic compound with the formula C2H2D2. The systematic name of this chemical is (Z)-(2H2)Ethene. With the CAS registry number 2813-62-9, it is also named as cis-Ethylene-1,2-d2. Besides, its molecular weight is 30.07.

Physical properties about Ethene-1,2-d2, (1Z)-(9CI) are: (1)ACD/LogP: 1.32; (2)ACD/LogD (pH 5.5): 1.319; (3)ACD/LogD (pH 7.4): 1.319; (4)ACD/BCF (pH 5.5): 5.918; (5)ACD/BCF (pH 7.4): 5.918; (6)ACD/KOC (pH 5.5): 124.262; (7)ACD/KOC (pH 7.4): 124.262; (8)Index of Refraction: 1.295; (9)Molar Refractivity: 10.708 cm3; (10)Molar Volume: 58.122 cm3; (11)Polarizability: 4.245×10-24 cm3; (12)Surface Tension: 9.68 dyne/cm; (13)Density: 0.517 g/cm3; (14)Enthalpy of Vaporization: 15.704 kJ/mol; (15)Vapour Pressure: 43302.625 mmHg at 25 °C.

Preparation: this chemical can be prepared by 1-Aminocyclopropane-cis-2,3-d2-carboxylic acid. This reaction will need reagents 1-Benzyl-3-carbamoyl-1,4-dihydropyridine, flavin mononucleotide, Mn(II), O2. The reaction temperature of 23 °C. The yield is about 50.3%.

Ethene-1,2-d2, (1Z)-(9CI) and trans-1,2-Dideuterio-ethene can be obtained by 1-Aminocyclopropane-cis-2,3-d2-carboxylic acid

Uses of Ethene-1,2-d2, (1Z)-(9CI): it can be used to produce trans-1,2-Dideuterio-ethene at temperature of 190.9 °C. It will need catalyst siloxene with reaction time of 10 min. The yield is about 46.3%.

Ethene-1,2-d2, (1Z)-(9CI) can be used to produce trans-1,2-Dideuterio-ethene

You can still convert the following datas into molecular structure:
(1)SMILES: [H]/C(=C(\[H])/[2H])/[2H]
(2)InChI: InChI=1/C2H4/c1-2/h1-2H2/i1D,2D/b2-1-
(3)InChIKey: VGGSQFUCUMXWEO-ITQDIREFFR
(4)Std. InChI: InChI=1S/C2H4/c1-2/h1-2H2/i1D,2D/b2-1-
(5)Std. InChIKey: VGGSQFUCUMXWEO-ITQDIREFSA-N