Acetophenone-d₈ - ≥98 atom% D,≥98% , CAS No.19547-00-3

CAS: 19547-00-3 Cat. No.: A471960 Formula: C₈D₈O Peso molecolare: 128.2 Numero EC: 687-226-9

GRADE & PURITY ≥98 atom% D,≥98%

Synonyms

MFCD00064447 | 2,2,2-trideuterio-1-(2,3,4,5,6-pentadeuteriophenyl)ethanone | Ethanone-2,2,2-d3,1-(phenyl-2,3,4,5,6-d5)- | D98272 | Acetophenone-d8 | Acetophenone-d8, 98 atom % D | 1-[(2,3,4,5,6-?H?)phenyl](?H?)ethan-1-one | DTXSID20369262 | AKOS015903116

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

Application：

Deuterium labelled form of acetophenone, a reagent used in the production of fragrances and resin polymers.

Specifications

Sinonimi

MFCD00064447 | 2,2,2-trideuterio-1-(2,3,4,5,6-pentadeuteriophenyl)ethanone | Ethanone-2,2,2-d3,1-(phenyl-2,3,4,5,6-d5)- | D98272 | Acetophenone-d8 | Acetophenone-d8, 98 atom % D | 1-[(2,3,4,5,6-?H?)phenyl](?H?)ethan-1-one | DTXSID20369262 | AKOS015903116

Specifiche e purezza

≥98 atom% D,≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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

Purezza

≥98 atom% D,≥98%

Nomi e identificatori

• Pubchem Sid: 504760930
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760930
• Sorrisi canonici: CC(=O)C1=CC=CC=C1
• IUPAC Name: 2,2,2-trideuterio-1-(2,3,4,5,6-pentadeuteriophenyl)ethanone
• InChIKey: KWOLFJPFCHCOCG-JGUCLWPXSA-N
• INCHI: 1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D
• Isomeri SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)C([2H])([2H])[2H])[2H])[2H]
• CAS alternativo: 98-86-2（unlabelled）
• Peso molecolare: 128.2
• Reaxy-Rn: 605842
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605842&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Acetophenones Benzoyl derivatives Aryl alkyl ketones Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Aryl alkyl ketone - Benzoyl - Benzenoid - Monocyclic benzene moiety - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• 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

• Solubilità: Chloroform (Slightly), Methanol (Slightly)
• Sensibilità: Hygroscopic
• Indice di rifrazione: 1.5322 (lit.)
• Punto di ebollizione (°C): 202 °C (lit.)
• Punto di fusione (°C): 19-20 °C (lit.)
• Peso molecolare: 128.199 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 128.108 Da
• Monoisotopic Mass: 128.108 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 101.000
• Isotope Atom Count: 8
• 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