Toluene-d₈ - ≥99.5 atom% D, contains 0.03 % (v/v) TMS , CAS No.2037-26-5

CAS: 2037-26-5 Cat. No.: T102276 Formule: C₆D₅CD₃ Poids moléculaire: 100.19 Beilstein Registry Number: 1909300 Numéro CE: 218-009-5

GRADE & PURITY ≥99.5 atom% D, contains 0.03 % (v/v) TMS

Synonyms

MFCD00044638 | OCTADEUTEROTOLUENE | Perdeuteriotoluene | CHEBI:193048 | C6D5CD3 | Benzene-d5, methyl-d3- | EINECS 218-009-5 | Toluene-d8, anhydrous, 99.6 atom % D | (S)-(-)-Tetrahydroberberine | 1-(methyl-d3)benzene-2,3,4,5,6-d5 | Toluene D8 2000 microg/m

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonymes

MFCD00044638 | OCTADEUTEROTOLUENE | Perdeuteriotoluene | CHEBI:193048 | C6D5CD3 | Benzene-d5, methyl-d3- | EINECS 218-009-5 | Toluene-d8, anhydrous, 99.6 atom % D | (S)-(-)-Tetrahydroberberine | 1-(methyl-d3)benzene-2,3,4,5,6-d5 | Toluene D8 2000 microg/m

Spécifications et pureté

≥99.5 atom% D, contains 0.03 % (v/v) TMS

Conditions de stockage de stockage

Protected from light,Room temperature,Argon charged

Expédié en

Normal

Pureté

≥99.5 atom% D

Noms et identifiants

Pubchem Sid

508813883

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508813883

Sourires canoniques

CC1=CC=CC=C1

IUPAC Name

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

InChIKey

YXFVVABEGXRONW-JGUCLWPXSA-N

INCHI

1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D

Isomères SMILES

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

WGK Allemagne

2

CAS alternatif

108-88-3（Unlabeled）

Numéro ONU

1294

Poids moléculaire

100.19

Beilstein

1909300

Reaxy-Rn

635760

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=635760&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Toluenes
• Alternative Parents: Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Toluene - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane 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

Propriétés chimiques et physiques

• Sensibilité: Hygroscopic；Light sensitive
• Indice de réfraction: 1.494
• Point d'éclair (°F): 39.2 °F
• Point d'éclair (°C): 4 °C
• Point d'ébullition (°C): 110°C
• Point de fusion (°C): -93°C
• Poids moléculaire: 100.190 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 100.113 Da
• Monoisotopic Mass: 100.113 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 42.000
• 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