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38274-25-8

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Basic Information
CAS No.: 38274-25-8
Name: 1,4-BUTANEDIOL-2,2,3,3-D4
Article Data: 9
Molecular Structure:
Molecular Structure of 38274-25-8 (1,4-BUTANEDIOL-2,2,3,3-D4)
Formula: C4H6D4O2
Molecular Weight: 94.0904
Synonyms: 1,4-Butanediol-2,2,3,3-d4;
Density: 1.051 g/cm3
Melting Point: 16 °C(lit.)
Boiling Point: 228 °C at 760 mmHg
Flash Point: 105.9 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
PSA: 40.46000
LogP: -0.24880
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Specification

The 1,4-Butane-2,2,3,3-d4-diol(7CI,9CI) is an organic compound with the formula C4H6D4O2. The systematic name of this chemical is 2,2,3,3-tetradeuteriobutane-1,4-diol. With the CAS registry number 38274-25-8, it is also named as 1,4-Butanediol-2,2,3,3-d4. The product's categories are Alphabetical Listings; B; Stable Isotopes.

Physical properties about 1,4-Butane-2,2,3,3-d4-diol(7CI,9CI) are: (1)#H bond acceptors: 2; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 5; (4)Polar Surface Area: 40.46 Å2; (5)Index of Refraction: 1.44; (6)Molar Refractivity: 23.65 cm3; (7)Molar Volume: 89.5 cm3; (8)Polarizability: 9.37×10-24cm3; (9)Surface Tension: 39.6 dyne/cm; (10)Density: 1.051 g/cm3; (11)Flash Point: 105.9 °C; (12)Enthalpy of Vaporization: 54.01 kJ/mol; (13)Boiling Point: 228 °C at 760 mmHg; (14)Vapour Pressure: 0.0146 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C([2H])(CO)C([2H])([2H])CO
(2)InChI: InChI=1/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2/i1D2,2D2
(3)InChIKey: WERYXYBDKMZEQL-LNLMKGTHEI
(4)Std. InChI: InChI=1S/C4H10O2/c5-3-1-2-4-6/h5-6H,1-4H2/i1D2,2D2
(5)Std. InChIKey: WERYXYBDKMZEQL-LNLMKGTHSA-N