o-Xylene-d₁₀ - ≥98 atom% D , CAS No.56004-61-6

CAS: 56004-61-6 Cat. No.: O102277 Summenformel: C₆D₄(CD₃)₂ Molekulargewicht: 116.23 EG-Nummer: 259-942-8

GRADE & PURITY ≥98 atom% D

Synonyms

D98588 | 1,2-Dimethylbenzene-d10 | (2H10)-o-Xylene | DTXSID50204576 | o-Xylene-d10, 99 atom % D | o-Xylene D10 | A935669 | 1,2,3,4-tetradeuterio-5,6-bis(trideuteriomethyl)benzene | o-Xylene-d10 | MFCD00037698 | AKOS015888378 | di(?H?)methyl(?H?)benzene |

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Übersicht

o-Xylene-d10 is a deuterated derivative of o-xylene. It has an isotopic purity of 99atom%D. It participates as an internal standard during the quantification of volatile organic compounds (furan, chloroform, benzene, trichloroethene, toluene and styrene) by vacuum distillation coupled with gas chromatography/mass spectrometry.

Specifications

Synonyme

D98588 | 1,2-Dimethylbenzene-d10 | (2H10)-o-Xylene | DTXSID50204576 | o-Xylene-d10, 99 atom % D | o-Xylene D10 | A935669 | 1,2,3,4-tetradeuterio-5,6-bis(trideuteriomethyl)benzene | o-Xylene-d10 | MFCD00037698 | AKOS015888378 | di(?H?)methyl(?H?)benzene |

Spezifikationen & Reinheit

≥98 atom% D

Storage

Protected from light,Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98 atom% D

Namen und Kennungen

• Pubchem Sid: 504756095
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756095
• Kanonisches Lächeln: CC1=CC=CC=C1C
• IUPAC Name: 1,2,3,4-tetradeuterio-5,6-bis(trideuteriomethyl)benzene
• InChIKey: CTQNGGLPUBDAKN-ZGYYUIRESA-N
• INCHI: 1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3/i1D3,2D3,3D,4D,5D,6D
• Isomere SMILES: [2H]C1=C(C(=C(C(=C1[2H])C([2H])([2H])[2H])C([2H])([2H])[2H])[2H])[2H]
• WGK Deutschland: 2
• Alternative CAS-Nummer: 95-47-6(Unlabeled)
• UN-Nummer: 1307
• Molekulargewicht: 116.23
• Reaxy-Rn: 1815558
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1815558&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Xylenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: o-Xylenes
• Alternative Parents: Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-xylene - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as o-xylenes. These are aromatic compounds that contain a o-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 2-positions.
• 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

• Empfindlichkeit: Moisture sensitive；light sensitive
• Brechungsindex: 1.5016
• Flammpunkt (°F): 89.6 °F
• Flammpunkt (°C): 32°C
• Siedepunkt (°C): 142°C
• Schmelzpunkt (°C): -25 °C
• Molekulargewicht: 116.230 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 116.141 Da
• Monoisotopic Mass: 116.141 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 56.400
• Isotope Atom Count: 10
• 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

Häufig gestellte Fragen

What is the isotopic enrichment of this product?

This product is isotopically enriched to ≥98 atom% deuterium. Isotopic enrichment is a separate specification from chemical purity — a labelled compound has both. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 56004-61-6, the molecular formula is C6D4(CD3)2, and the molecular weight is 116.23 g/mol. InChIKey CTQNGGLPUBDAKN-ZGYYUIRESA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.