p-Xylene-d10 - ≥98 atom% D,≥99% , CAS No.41051-88-1

CAS: 41051-88-1 Cat. No.: P102278 Fórmula: C₆D₄(CD₃)₂ Peso molecular: 116.23 Número CE: 255-193-6

GRADE & PURITY ≥98 atom% D,≥99%

Synonyms

D99434 | MFCD00037699 | A935671 | URLKBWYHVLBVBO-ZGYYUIRESA-N | [2H10]-1,4-Dimethylbenzene | p-Xylene-d10, 99 atom % D | 1,4-Dimethylbenzene-d10 | (2H10)-p-Xylene | DTXSID70194021 | 2-Xylene-d10; para-Xylene-d10; 1,4-Dimethylbenzene-d10 | p-Xylene D10 | B

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Visão geral

Product Introduction

p-Xylene-d10 is a deuterated derivative of p-xylene. It has an isotopic purity of 98atom%D. A series of solutions of p-xylene dissolved in the first 12 members of the 4-n-alkyloxy-4′-cyanobiphenyls (NOCB) were prepared. Principal components Szz and Sxx - Syy of the second rank orientational ordering matrix of these solutions were determined by deuterium NMR analysis. It is an anthropogenic volatile organic compounds (VOC), which is useful for the formation of secondary organic aerosol (SOA).

Application

p-Xylene-d10 may be used as an internal standard (IS) for GC/MS analysis of volatile organic compounds in the emissions from a landfill.

Specifications

Sinónimos

D99434 | MFCD00037699 | A935671 | URLKBWYHVLBVBO-ZGYYUIRESA-N | [2H10]-1,4-Dimethylbenzene | p-Xylene-d10, 99 atom % D | 1,4-Dimethylbenzene-d10 | (2H10)-p-Xylene | DTXSID70194021 | 2-Xylene-d10; para-Xylene-d10; 1,4-Dimethylbenzene-d10 | p-Xylene D10 | B

Especificações e pureza

≥98 atom% D,≥99%

Condições de armazenamento de armazenamento

Room temperature,Argon charged,Desiccated

Enviado em

Normal

Pureza

≥98 atom% D,≥99%

Nomes e identificadores

Pubchem Sid

504759291

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759291

Sorrisos canónicos

CC1=CC=C(C=C1)C

IUPAC Name

1,2,4,5-tetradeuterio-3,6-bis(trideuteriomethyl)benzene

InChIKey

URLKBWYHVLBVBO-ZGYYUIRESA-N

INCHI

1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3/i1D3,2D3,3D,4D,5D,6D

SMILES isoméricas

[2H]C1=C(C(=C(C(=C1C([2H])([2H])[2H])[2H])[2H])C([2H])([2H])[2H])[2H]

WGK Alemanha

3

CAS alternativo

106-42-3 (Unlabeled)

Número UN

1307

Peso molecular

116.23

Reaxy-Rn

1901563

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1901563&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Xylenes
• Intermediate Tree Nodes: Not available
• Direct Parent: p-Xylenes
• Alternative Parents: Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-xylene - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as p-xylenes. These are aromatic compounds that contain a p-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 4-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

Propriedades químicas e físicas

• Sensibilidade: Moisture sensitive
• Índice de refração: 1.492
• Ponto de inflamação (°F): 77.0 °F
• Ponto de inflamação (°C): 25.00 °C
• Ponto de ebulição (°C): 135°C
• Ponto de fusão (°C): 12-13°C
• Peso molecular: 116.230 g/mol
• XLogP3: 3.200
• 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: 48.400
• 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