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2219-52-5

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Basic Information
CAS No.: 2219-52-5
Name: ETHYLENE GLYCOL-(OD)2
Article Data: 2
Molecular Structure:
Molecular Structure of 2219-52-5 (ETHYLENE GLYCOL-(OD)2)
Formula: C2H4D2O2
Molecular Weight: 64.0526
Synonyms: Ethyleneglycol-d2 (6CI,7CI,8CI);Ethylene glycol-O-d2;
Density: 1.133 g/cm3
Melting Point: -13 °C at 760 mmHg
Boiling Point: 197.539 °C at 760 mmHg
Flash Point: 108.171 °C
Hazard Symbols: HarmfulXn
Risk Codes: 22
PSA: 40.46000
LogP: -1.02900
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Specification

The 1,2-Ethanediol-d2 (9CI), with the CAS registry number 2219-52-5, is also known as Ethylene Glycol-(OD)2. It belongs to the product categories of Alphabetical Listings; E-FStable Isotopes; NMR - Solvents; NMR Solvents and Reagents; NMR Stable Isotopes; Stable Isotopes. This chemical's molecular formula is C2H4D2O2 and molecular weight is 64.08. What's more, its systematic name is 1,2-Dideuteriooxyethane. It is stable at room temperature and pressure, and it should be sealed and stored in a cool and dry place.

Physical properties of 1,2-Ethanediol-d2 (9CI) are: (1)ACD/LogP: -1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3; (8)ACD/KOC (pH 7.4): 3; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 40.46 Å2; (13)Index of Refraction: 1.422; (14)Molar Refractivity: 14.384 cm3; (15)Molar Volume: 56.561 cm3; (16)Polarizability: 5.702×10-24 cm3; (17)Surface Tension: 43.413 dyne/cm; (18)Density: 1.133 g/cm3; (19)Flash Point: 108.171 °C; (20)Enthalpy of Vaporization: 50.468 kJ/mol; (21)Boiling Point: 197.539 °C at 760 mmHg; (22)Vapour Pressure: 0.096 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It is harmful if it is swallowed.

You can still convert the following datas into molecular structure:
(1)SMILES: C(CO)O
(2)InChI: InChI=1/C2H6O2/c3-1-2-4/h3-4H,1-2H2/i3D,4D
(3)InChIKey: LYCAIKOWRPUZTN-NMQOAUCREB