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

CAS: 19547-00-3 Cat. No.: A471960 Summenformel: C₈D₈O Molekulargewicht: 128.2 EG-Nummer: 687-226-9

QUALITÄT & REINHEIT ≥98 atom% D,≥98%

Synonyms

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)-|Acetophenone-d8

Storage

Store at 2-8°C

Shipped In

Wet ice

Übersicht

Application：

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

Spezifikationen

Synonyme

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)- | Acetophenone-d8

Spezifikationen & Reinheit

≥98 atom% D,≥98%

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98 atom% D,≥98%

Namen und Kennungen

Pubchem Sid

504760930

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760930

Kanonisches Lächeln

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

Isomere SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)C([2H])([2H])[2H])[2H])[2H]

Alternative CAS-Nummer

98-86-2（unlabelled）

Molekulargewicht

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
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Aryl ketones
            • Ebene7 Phenylketones
              • Ebene8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
• Empfindlichkeit: Hygroscopic
• Brechungsindex: 1.5322 (lit.)
• Siedepunkt (°C): 202 °C (lit.)
• Schmelzpunkt (°C): 19-20 °C (lit.)
• Molekulargewicht: 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