Acetic anhydride-d₆ - ≥98 atom% D,≥98% , CAS No.16649-49-3

CAS: 16649-49-3 Cat. No.: A474130 Formule: (CD₃CO)₂O Poids moléculaire: 108.13 Beilstein Registry Number: 1910689 Numéro CE: 240-697-0

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

Acetic anhydride-d6 | Acetic-2,2,2-d3 anhydride | (2,2,2-trideuterioacetyl) 2,2,2-trideuterioacetate | (acetic anhydride)-d6 | (2H3)Acetic anhydride

Storage

Protected from light,Room temperature,Desiccated

Shipped In

Normal

Vue d’ensemble

- NMR spectroscopy solvent for biomolecular structure analysis
- Neutron scattering experiments in materials science
- metabolic labeling studies in biological research
- Analytical method development

Specifications

Synonymes

Acetic anhydride-d6 | Acetic-2,2,2-d3 anhydride | (2,2,2-trideuterioacetyl) 2,2,2-trideuterioacetate | (acetic anhydride)-d6 | (2H3)Acetic anhydride

Spécifications et pureté

≥98 atom% D,≥98%

Conditions de stockage de stockage

Protected from light,Room temperature,Desiccated

Expédié en

Normal

Pureté

≥98 atom% D,≥98%

Noms et identifiants

Pubchem Sid

504760840

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760840

Sourires canoniques

CC(=O)OC(=O)C

IUPAC Name

(2,2,2-trideuterioacetyl) 2,2,2-trideuterioacetate

InChIKey

WFDIJRYMOXRFFG-WFGJKAKNSA-N

INCHI

1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3/i1D3,2D3

Isomères SMILES

[2H]C([2H])([2H])C(=O)OC(=O)C([2H])([2H])[2H]

CAS alternatif

108-24-7（Unlabeled）

Numéro ONU

1715

Poids moléculaire

108.13

Beilstein

1910689

Reaxy-Rn

385737

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=385737&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Carboxylic acid anhydrides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive；light sensitive
• Indice de réfraction: n20/D 1.3875 (lit.)
• Point d'éclair (°F): 120.2 °F - closed cup
• Point d'éclair (°C): 49 °C - closed cup
• Point d'ébullition (°C): 138-140℃ (lit.)
• Point de fusion (°C): -73℃ (lit.)
• Poids moléculaire: 108.130 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 108.069 Da
• Monoisotopic Mass: 108.069 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 83.100
• Isotope Atom Count: 6
• 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

Foire aux questions

What is the purity of this product?

This product is isotopically enriched to ≥98 atom% deuterium. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store in a cool place, protected from light, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 16649-49-3, the molecular formula is C4H6O3, and the molecular weight is 108.13 g/mol. InChIKey WFDIJRYMOXRFFG-WFGJKAKNSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.