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Ethan-1,1,2,2-d4-ol-d,2-(mercapto-d)- (9CI)

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Name

Ethan-1,1,2,2-d4-ol-d,2-(mercapto-d)- (9CI)

EINECS N/A
CAS No. 203645-37-8 Density 1.151 g/cm3
PSA 59.03000 LogP -0.09150
Solubility N/A Melting Point N/A
Formula C2D6OS Boiling Point 156.999 °C at 760 mmHg
Molecular Weight 84.0874 Flash Point 73.889 °C
Transport Information UN 2966 Appearance N/A
Safety 26-36/37/39-45-60 Risk Codes 22-24-34-51/53
Molecular Structure Molecular Structure of 203645-37-8 (2-MERCAPTOETHANOL-D6) Hazard Symbols ToxicT,DangerousN
Synonyms

2-(2H)Sulfanyl(2H4)ethan(2H)ol;

 

Ethan-1,1,2,2-d4-ol-d,2-(mercapto-d)- (9CI) Specification

The CAS registry number of Ethan-1,1,2,2-d4-ol-d,2-(mercapto-d)- (9CI) is 203645-37-8. It belongs to the product categories of Alphabetical Listings; Biomolecular NMR; Buffers and ReagentsStable Isotopes. This chemical is also named as 2-Mercaptoethanol-d6. In addition, its molecular formula is C2D6OS and molecular weight is 84.17. Its systematic name is called 2-(2H)Sulfanyl(2H4)ethan(2H)ol.

Physical properties about Ethan-1,1,2,2-d4-ol-d,2-(mercapto-d)- (9CI) are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 17.859; (4)ACD/KOC (pH 7.4): 17.782; (5)#H bond acceptors: 1; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 3; (8)Index of Refraction: 1.479; (9)Molar Refractivity: 20.746 cm3; (10)Molar Volume: 73.103 cm3; (11)Surface Tension: 37.013 dyne/cm; (12)Density: 1.151 g/cm3; (13)Flash Point: 73.889 °C; (14)Enthalpy of Vaporization: 45.853 kJ/mol; (15)Boiling Point: 156.999 °C at 760 mmHg; (16)Vapour Pressure: 1.011 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may present an immediate or delayed danger to one or more components of the environment. It at low levels may cause damage to health. It is harmful if swallowed. It is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. Also it is toxic in contact with skin. What's more, it can cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). Finally, this material and its container must be disposed of as hazardous waste.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C([2H])(C([2H])([2H])S[2H])O[2H]
(2)InChI: InChI=1/C2H6OS/c3-1-2-4/h3-4H,1-2H2/i1D2,2D2,3D/hD
(3)InChIKey: DGVVWUTYPXICAM-AFCDONKGEG

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