Methanol-d₄ - 100%, 99.96 atom % D , CAS No.811-98-3

CAS: 811-98-3 Cat. No.: M434247 Formula: CD₃OD Molecular Weight: 36.07 Beilstein Registry Number: 1733278 EC Number: 212-378-6

GRADE & PURITY 100%, 99.96 atom % D

Synonyms

((2)H3)methan((2)H)ol | Propyleneoxide | ((2)H4)methanol | Deuterated methanol | METHANOL (D4) | Methanol-D4 >99.5% | Methanol-d4, >=99.8 atom % D, contains 0.1 % (v/v) TMS | HCFC-22 | AKOS015917660 | CHEBI:156265 | Methanol D4 | Methanol D4 >99.8%(+0.03%

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Overview

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

Specifications

Synonyms

((2)H3)methan((2)H)ol | Propyleneoxide | ((2)H4)methanol | Deuterated methanol | METHANOL (D4) | Methanol-D4 >99.5% | Methanol-d4, >=99.8 atom % D, contains 0.1 % (v/v) TMS | HCFC-22 | AKOS015917660 | CHEBI:156265 | Methanol D4 | Methanol D4 >99.8%(+0.03%

Specifications & Purity

100%, 99.96 atom % D

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Names and Identifiers

Canonical Smiles

CO

IUPAC Name

trideuterio(deuteriooxy)methane

InChIKey

OKKJLVBELUTLKV-MZCSYVLQSA-N

INCHI

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

Isomeric SMILES

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

WGK Germany

1

Alternate CAS

67-56-1（Unlabeled）

UN Number

UN1230

Packing Group

II

Molecular Weight

36.07

Beilstein

1733278

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Primary alcohols
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Primary alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as primary alcohols. These are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Refractive Index: 1.326
• Flash Point(°F): 51.8 °F
• Flash Point(°C): 11°C
• Boil Point(°C): 65.4°C
• Melt Point(°C): -98°C
• Molecular Weight: 36.066 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 36.0513 Da
• Monoisotopic Mass: 36.0513 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 2
• Formal Charge: 0
• Complexity: 2.000
• Isotope Atom Count: 4
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1