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Merck
CN

441384

Methanol-d4

≥99.8 atom % D

Synonym(s):

Methyl-d3 alcohol d, Tetradeuteromethanol

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About This Item

Linear Formula:
CD3OD
CAS Number:
811-98-3
Molecular Weight:
36.07
UNSPSC Code:
12352104
NACRES:
NA.21
PubChem Substance ID:
24867658
EC Number:
212-378-6
Beilstein/REAXYS Number:
1733278
MDL number:
MFCD00044637

Key Documents

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Product Name

Methanol-d4, ≥99.8 atom % D

InChI key

OKKJLVBELUTLKV-MZCSYVLQSA-N

InChI

1S/CH4O/c1-2/h2H,1H3/i1D3,2D

SMILES string

[2H]OC([2H])([2H])[2H]

isotopic purity

≥99.8 atom % D

assay

≥99% (CP)

form

liquid

expl. lim.

5.5-36.5 % (lit.)

technique(s)

NMR: suitable

impurities

≤0.025% water

refractive index

n20/D 1.326 (lit.)

bp

65.4 °C (lit.)

mp

-99 °C (lit.)

density

0.888 g/mL at 25 °C (lit.)

format

neat

Quality Level

200

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Application

Methanol-d4 may be used as a solvent to analyze the rate of exchange of methoxyl group in camphor and norcamphor dimethyl ketals.

General description

Methanol-d4 (CD3OD) is a deuterated NMR solvent useful in NMR-based research and analyses. Absolute infrared absorption intensities of CD3OD have been reported between 8000 and 350cm-1.

Other Notes

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signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Liq. 2 - STOT SE 1

target_organs

Eyes,Central nervous system

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

51.8 °F - closed cup

flash_point_c

11 °C - closed cup

Regulatory Information

危险化学品
美国出口管控产品
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Certificates of Analysis (COA)

Lot/Batch Number
MBBD7181
MBBD6964
MBBD6924
MBBD6828
MBBD9028

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Victor V Volkov et al.
The journal of physical chemistry. A, 122(22), 4997-5003 (2018-05-09)
Structural properties of bioinorganic composites are of current interest in the areas of drug delivery, bone repair, and biomimetics. In such composite systems, structural analysis is enhanced when we combine methods of spectroscopy and simulation. Depending on size and shape
Infrared intensities of liquids. XVII. Infrared refractive indices from 8000 to 350 cm-1, absolute integrated absorption intensities, transition moments, and dipole moment derivatives of methan-d3-ol and methanol-d4 at 25?C.
Bertie JE and Zhang SL.
J. Chem. Phys. , 101(10), 8364-8379 (1994)
The Rates of Methoxyl Exchange of Camphor and Norcamphor Dimethyl Ketals in Methanol-d4.
Traylor TG and Perrin CL.
Journal of the American Chemical Society, 88(21), 4934-4942 (1966)
Jon Kapla et al.
Physical chemistry chemical physics : PCCP, 17(34), 22438-22447 (2015-08-08)
The disaccharide trehalose (TRH) strongly affects the physical properties of lipid bilayers. We investigate interactions between lipid membranes formed by 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) and TRH using NMR spectroscopy and molecular dynamics (MD) computer simulations. We compare dipolar couplings derived from DMPC/TRH
Cheng-Kun Lin et al.
Organic & biomolecular chemistry, 13(7), 2100-2107 (2014-12-20)
A straightforward synthesis of novel, 2-heterocyclyl polyhydroxylated pyrrolidines is described. Stereocontrolled additions of nucleophiles to cyclic nitrones generated the corresponding 2,3-trans adducts, allowing the synthesis of the corresponding pyrrolidines via key intermediates bearing an alkyne and a nitrile oxide. Three
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