Cloruro de acetilo-d₃ - ≥98 átomo% D3 , CAS No.19259-90-6

CAS: 19259-90-6 Cat. No.: A121289 Peso molecular: 81.52 Número EC: 242-925-4

GRADE & PURITY ≥98 atom% D3

Synonyms

CHEBI:192401 | Cloruro de acetilo-d3, 99 átomo % D | J-012456 | AS-75517 | Cloruro de acetilo-d3 | Cloruro de acetilo (?H?)| D98798 | Cloruro de 2,2,2-trideuterioacetilo | Cloruro de acetilo-d3 (6CI,7CI,8CI,9CI) | Cloruro de acetilo-d3 | CLORURO DE ACETIL

Storage

Conservar a 2-8°C,Protegido de la luz,Cargado con argón

Shipped In

Hielo húmedo

Specifications

Sinónimos

CHEBI:192401 | Cloruro de acetilo-d3, 99 átomo % D | J-012456 | AS-75517 | Cloruro de acetilo-d3 | Cloruro de acetilo (?H?) | D98798 | Cloruro de 2, 2, 2-trideuterioacetilo | Cloruro de acetilo-d3 (6CI, 7CI, 8CI, 9CI) | Cloruro de acetilo-d3 | CLORURO DE ACETIL

Especificaciones y pureza

≥98 átomo% D3

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, Protegido de la luz, Cargado con argón

Enviado en

Hielo húmedo

Pureza

≥98 atom% D3

Nombres e identificadores

• Sonrisas canónicas: CC(=O)Cl
• IUPAC Name: 2,2,2-trideuterioacetyl chloride
• InChIKey: WETWJCDKMRHUPV-FIBGUPNXSA-N
• INCHI: 1S/C2H3ClO/c1-2(3)4/h1H3/i1D3
• Isómeros SMILES: [2H]C([2H])([2H])C(=O)Cl
• CAS alternativo: 75-36-5 (Unlabeled)
• Peso molecular: 81.52
• Reaxy-Rn: 605303
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605303&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • Clase Acyl halides
      • Subclass Acyl chlorides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• Clase: Acyl halides
• Subclass: Acyl chlorides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyl chlorides
• Alternative Parents: Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as acyl chlorides. These are organic compounds containing the functional group -CO-Cl.
• 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: light & moisture sensitive
• Índice de refracción: 1.3865
• Punto de inflamación (°F): 41.0 °F
• Punto de inflamación (°C): 5 °C
• Punto de ebullición (°C): 52°C
• Punto de fusión (°C): -112°C
• Peso molecular: 81.510 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 81.0061 Da
• Monoisotopic Mass: 81.0061 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 4
• Formal Charge: 0
• Complexity: 33.000
• Isotope Atom Count: 3
• 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

Referencias

1. Yan-Qing Chen, Hong Shen, Ru-Jie Yang, Jian-Bo Wan.  (2021)  Accurate quantification of endogenous N-acylethanolamides by chemical isotope labeling coupled with liquid chromatography-tandem mass spectrometry.  ANALYTICA CHIMICA ACTA,      [PMID:34535247] [10.1016/j.aca.2021.338839]

2. Jun-Yi Zhou, Yan-Qing Chen, Guang Hu, Haiyu Zhao, Jian-Bo Wan.  (2024)  An integrated strategy for in-depth profiling of N-acylethanolamines in biological samples by UHPLC-HRMS.  ANALYTICA CHIMICA ACTA,      [PMID:39396319] [10.1016/j.aca.2024.343262]