Toluene-d₈ - ≥99.6 atom% D , CAS No.2037-26-5

CAS: 2037-26-5 Cat. No.: T102274 Formula: C₆D₅CD₃ Peso molecolare: 100.19 Beilstein Registry Number: 1909300 Numero EC: 218-009-5

GRADE & PURITY ≥99.6 atom% D

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

Panoramica

Toluene-d8 is a deuterated NMR solvent useful in NMR-based research and analyses. Spin–lattice relaxation time (T 1), viscosity and density have been measured over -35 to 200°C range. The temperature dependent chemical shifts in the proton NMR spectra of α,,β-unsaturated ketones in toluene-d8 has been studied.

Specifications

Sinonimi

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

Specifiche e purezza

≥99.6 atom% D

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature,Argon charged

Spedito in

Normal

Purezza

≥99.6 atom% D

Nomi e identificatori

• Pubchem Sid: 504754875
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754875
• Sorrisi canonici: 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
• Isomeri SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])[2H])[2H])[2H]
• WGK Germania: 2
• CAS alternativo: 108-88-3（Unlabeled）
• Numero UN: 1294
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in water.0.5 g/L (20°C)
• Sensibilità: Moisture sensitive；Light sensitive
• Indice di rifrazione: 1.494
• Punto di infiammabilità (°F): 39.2 °F
• Punto di infiammabilità (°C): 4 °C
• Punto di ebollizione (°C): 110°C
• Punto di fusione (°C): -93°C
• Peso molecolare: 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

Riferimenti

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2. Ying Zhang, Xiu Chen, Linzhou Zhang, Quan Shi, Suoqi Zhao, Chunming Xu.  (2020)  Specification of the nitrogen functional group in a hydrotreated petroleum molecule using hydrogen/deuterium exchange electrospray ionization high-resolution mass spectrometry.  ANALYST,  145  (13): (4442-4451).  [PMID:32529999] [10.1039/D0AN00772B]

3. Xiao Ma, Chongying Xu, Zhibiao Mao, Peiyu Ji, Chenggang Jin, Dongsheng Xu, Yuqiang Ding.  (2019)  Synthesis, characterization, and thermal properties of novel silicon 1,1,3,3-tetramethylguanidinate derivatives and use as single-source chemical vapor deposition precursors.  APPLIED ORGANOMETALLIC CHEMISTRY,  34  (2): (e5349).  [PMID:] [10.1002/aoc.5349]

4. Naifan Dong, Jintang Duan, Cailiang Zhang, Xueping Gu, Lianfang Feng, Liu Liu.  (2025)  Cyclo-linear synthesis of amino silicone oil and study on the catalytic polymerization mechanism of phosphazene base.  POLYMER,      [PMID:] [10.1016/j.polymer.2025.128163]

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7. Runyu Qi, Ling Lei, Qianhui Zhao, Anzhu Wei, Yuanfeng Wang, Fange Kong, Yahe Zhang, Linzhou Zhang, Liang Zhao, Chunming Xu, Quan Shi.  (2025)  Molecular Characterization of Oxygen-Containing Compounds in Aged Lubricant Base Oils.  ACS Omega,      [PMID:41078818] [10.1021/acsomega.5c07547]

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