Benzene-d6 - ≥99.96 atom% D, contains 0.03 % (v/v) TMS , CAS No.1076-43-3

CAS: 1076-43-3 Cat. No.: B100914 Fórmula: C₆D₆ Peso molecular: 84.15 Beilstein Registry Number: 1905426 Número CE: 214-061-8

GRADE & PURITY ≥99.96 atom% D, contains 0.03 % (v/v) TMS

Synonyms

Benzene-d6, 99.6 atom % D, contains 0.03 % (v/v) TMS | Benzene-d6, 99.6 atom % D, contains 1 % (v/v) TMS | C6D6 | DTXSID7037769 | Benzene-d6, '100%', 99.96 atom % D, contains 0.03 % (v/v) TMS | Hexadeuterobenzene | Benzene-D6 >99% | B3008 | Benzene-d6, 99

Storage

Room temperature,Argon charged

Shipped In

Normal

Visão geral

Product Describtion:

Benzene-d6 (C6D6) is deuterated benzene that contains 0.03% (v/v) TMS (tetramethylsilane). Its Soret coefficient S(T) has been measured by transient holographic grating technique.Its synthesis,13C NMR, IR and MS spectra have been reported

Product Application:
Benzene-d6 (C6D6) may be used in the following:
Synthesis of isotopically labeled samples.
As a 1H and 13C-NMR solvent.
In the internal calibration of benzene stock solution

Specifications

Sinónimos

Benzene-d6, 99.6 atom % D, contains 0.03 % (v/v) TMS | Benzene-d6, 99.6 atom % D, contains 1 % (v/v) TMS | C6D6 | DTXSID7037769 | Benzene-d6, '100%', 99.96 atom % D, contains 0.03 % (v/v) TMS | Hexadeuterobenzene | Benzene-D6 >99% | B3008 | Benzene-d6, 99

Especificações e pureza

≥99.96 atom% D, contains 0.03 % (v/v) TMS

Condições de armazenamento de armazenamento

Room temperature,Argon charged

Enviado em

Normal

Pureza

≥99.96 atom% D

Nomes e identificadores

• Pubchem Sid: 528772372
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528772372
• Sorrisos canónicos: C1=CC=CC=C1
• IUPAC Name: 1,2,3,4,5,6-hexadeuteriobenzene
• InChIKey: UHOVQNZJYSORNB-MZWXYZOWSA-N
• INCHI: 1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D
• SMILES isoméricas: [2H]C1=C(C(=C(C(=C1[2H])[2H])[2H])[2H])[2H]
• WGK Alemanha: 3
• CAS alternativo: 71-43-2（Unlabeled）
• Número UN: 1114
• Grupo de embalagem: II
• Peso molecular: 84.15
• Beilstein: 1905426
• Reaxy-Rn: 969212
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=969212&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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: 1.497
• Ponto de inflamação (°F): 53.6℉
• Ponto de inflamação (°C): -11℃
• Ponto de ebulição (°C): 79.1°C
• Ponto de fusão (°C): 6.8°C
• Peso molecular: 84.150 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 84.0846 Da
• Monoisotopic Mass: 84.0846 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 15.500
• Isotope Atom Count: 6
• 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

Referências

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