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

CAS: 16649-49-3 Cat. No.: A474130 Fórmula: (CD₃CO)₂O Peso molecular: 108.13 Beilstein Registry Number: 1910689 Número EC: 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

Descripción general

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

Specifications

Sinónimos

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

Especificaciones y pureza

≥98 atom% D,≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature,Desiccated

Enviado en

Normal

Pureza

≥98 atom% D,≥98%

Nombres e identificadores

Pubchem Sid

504760840

Pubchem Sid Url

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

Sonrisas canónicas

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

Isómeros SMILES

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

CAS alternativo

108-24-7（Unlabeled）

Número ONU

1715

Peso molecular

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
    • Clase Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive；light sensitive
• Índice de refracción: n20/D 1.3875 (lit.)
• Punto de inflamación (°F): 120.2 °F - closed cup
• Punto de inflamación (°C): 49 °C - closed cup
• Punto de ebullición (°C): 138-140℃ (lit.)
• Punto de fusión (°C): -73℃ (lit.)
• Peso molecular: 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

Preguntas frecuentes

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.