Acetic acid-d - ≥99 atom% D , CAS No.758-12-3

CAS: 758-12-3 Cat. No.: A140018 Formula: [2H]C₂H₃O₂ Peso molecolare: 61.06 Beilstein Registry Number: 1739249 Numero EC: 212-059-1

QUALITÀ & PUREZZA ≥99 atom% D

Synonyms

ACETIC ACID-D|758-12-3|deuterio acetate|Acetic acid-d1|Acetic(2H)acid|Acetic (2H)acid|Monodeuteroacetic Acid|EINECS 212-059-1|MFCD00051050|Acetic (acid-d)|ethan(?H)oic acid|CH3COOD|(O-~2~H)Acetic acid|Acetic acid-d, 99 atom % D|DTXSID70997190|AKOS01589295

Storage

Argon charged,Room temperature

Shipped In

Normal

Panoramica

Acetic acid-d (Monodeuteroacetic acid) is the monodeuterated form of acetic acid, in which the hydrogen atom of hydroxyl group has been replaced by deuterium (D). Infrared spectral studies of its vapors at 150°C in the range of 2-25μ have been reported.

Specifiche

Sinonimi

ACETIC ACID-D | 758-12-3 | deuterio acetate | Acetic acid-d1 | Acetic(2H)acid | Acetic (2H)acid | Monodeuteroacetic Acid | EINECS 212-059-1 | MFCD00051050 | Acetic (acid-d) | ethan(?H)oic acid | CH3COOD | (O-~2~H)Acetic acid | Acetic acid-d, 99 atom % D | DTXSID70997190 | AKOS01589295

Specifiche e purezza

≥99 atom% D

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥99 atom% D

Nomi e identificatori

Pubchem Sid

508811893

Sorrisi canonici

CC(=O)O

IUPAC Name

deuterio acetate

InChIKey

QTBSBXVTEAMEQO-DYCDLGHISA-N

INCHI

1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i/hD

Isomeri SMILES

[2H]OC(=O)C

WGK Germania

3

Numero UN

2789

Gruppo di imballaggio

II

Peso molecolare

61.06

Beilstein

1739249

Reaxy-Rn

506007

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506007&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• 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

Proprietà chimiche e fisiche

• Sensibilità: Hygroscopic
• Punto di infiammabilità (°F): 104°F
• Punto di infiammabilità (°C): 40 °C
• Punto di ebollizione (°C): 116-117℃
• Punto di fusione (°C): 15-16℃
• Peso molecolare: 61.060 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 61.0274 Da
• Monoisotopic Mass: 61.0274 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 31.000
• Isotope Atom Count: 1
• 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