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1070-74-2

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Basic Information
CAS No.: 1070-74-2
Name: ACETYLENE-D2
Article Data: 10
Molecular Structure:
Molecular Structure of 1070-74-2 (ACETYLENE-D2)
Formula: C2D2
Molecular Weight: 28.022
Synonyms: Ethyne-1, 2-d2;1, 2-Dideuterioethyne;Dideuterioacetylene;Ethyne, dideuterio-;
Density: 0.612 g/cm3
Melting Point: -81oC (subl.)(lit.)
Hazard Symbols: F+
PSA: 0.00000
LogP: 0.24940
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Specification

The Ethyne-d2, with the CAS registry number 1070-74-2, is also known as Ethyne-1, 2-d2. This chemical's molecular formula is C2D2 and molecular weight is 28.0496. What's more, its IUPAC name is 1, 2-Dideuterioethyne.

Physical properties about Ethyne-d2 are: (1)ACD/LogP: 0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.37; (4)ACD/LogD (pH 7.4): 0.37; (5)ACD/BCF (pH 5.5): 1.13; (6)ACD/BCF (pH 7.4): 1.13; (7)ACD/KOC (pH 5.5): 37.87; (8)ACD/KOC (pH 7.4): 37.87; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.315; (14)Molar Refractivity: 8.96 cm3; (15)Molar Volume: 45.7 cm3; (16)Polarizability: 3.55×10-24 cm3; (17)Surface Tension: 16 dyne/cm; (18)Density: 0.612 g/cm3; (19)Enthalpy of Vaporization: 21.12 kJ/mol; (20)Vapour Pressure: 69700 mmHg at 25 °C.

Uses of Ethyne-d2: it is used to produce other chemicals. For example, it is used to produce (E)-1-Chloro-2-(phenylthio)ethene-1,2-d2. The reaction needs solvent Ethyl acetate. The yield is about 34 %.

Ethyne-d2 can react with Benzenesulfenyl chloride to get (E)-1-Chloro-2-(phenylthio)ethene-1,2-d2.

You can still convert the following datas into molecular structure:
(1) SMILES: [2H]C#C[2H]
(2) InChI: InChI=1/C2H2/c1-2/h1-2H/i1D,2D
(3) InChIKey: HSFWRNGVRCDJHI-QDNHWIQGEF