Acetic anhydride-¹³C₄ - ≥99 atom% 13C,≥98% , CAS No.114510-14-4

CAS: 114510-14-4 Cat. No.: A302240 Formula: ¹³C₄H₆O₃ Peso molecolare: 106.06 Numero EC: 686-046-8

GRADE & PURITY ≥99 atom% 13C,≥98%

Synonyms

Acetic anhydride-13C4|114510-14-4|Acetic-1,2-13C2 acid,1,1'-anhydride|ACETIC ANHYDRIDE-1,1',2,2'-13C4|SCHEMBL1330344|AKOS015910644|Acetic anhydride-13C4, 99 atom % 13C|(1,2-??C?)acetyl (1,2-??C?)acetate

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

Acetic anhydride-13C4 | 114510-14-4 | Acetic-1,2-13C2 acid,1,1'-anhydride | ACETIC ANHYDRIDE-1,1',2,2'-13C4 | SCHEMBL1330344 | AKOS015910644 | Acetic anhydride-13C4, 99 atom % 13C | (1,2-??C?)acetyl (1,2-??C?)acetate

Specifiche e purezza

≥99 atom% 13C,≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥99 atom% 13C,≥98%

Nomi e identificatori

• Pubchem Sid: 504768225
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768225
• Sorrisi canonici: CC(=O)OC(=O)C
• IUPAC Name: acetyl acetate
• InChIKey: WFDIJRYMOXRFFG-JCDJMFQYSA-N
• INCHI: 1S/C4H6O3/c1-3(5)7-4(2)6/h1-2H3/i1+1,2+1,3+1,4+1
• Isomeri SMILES: [13CH3][13C](=O)O[13C](=O)[13CH3]
• Peso molecolare: 106.06
• Reaxy-Rn: 9995434
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9995434&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 Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Carboxylic acid anhydride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Light & Moisture sensitive
• Indice di rifrazione: 1.39 (lit.)
• Punto di infiammabilità (°C): 49 °C
• Punto di ebollizione (°C): 138-140°C (lit.)
• Punto di fusione (°C): −73°C (lit.)
• Peso molecolare: 106.059 g/mol
• XLogP3: -0.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 106.045 Da
• Monoisotopic Mass: 106.045 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 83.100
• 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