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Toluene-d₈ - 99 atom % D, high purity , CAS No.2037-26-5

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Toluene-d₈ - 99 atom % D, high purity , CAS No.2037-26-5

6 Citations

COA

Grade & Purity:

≥99 atom% D

Cas Number: 2037-26-5
Molecular Weight: 100.19
Beilstein Registry Number: 1909300
EC Number: 218-009-5
PubChem CID: 74861

In stock

Item Number

T432289

Grouped product items
SKU	Size	Availability	Price
T432289-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$291.90
T432289-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$632.90
T432289-50g	50g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,077.90

Basic Description

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
Specifications & Purity	≥99 atom% D
Product Description	Toluene-d 8 is a deuterated derivative of toluene. Pyrolytic decomposition of dilute mixtures (concentration range = 5-20ppm) of toluene-d 8 in argon behind shock waves has been reported to afford various concentrations of hydrogen and deuterium atoms. This pyrolytic reaction was investigated by resonance absorption spectroscopy. It participates as solvent in the time-course 1 H-NMR (Proton Nuclear Magnetic Resonance) spectral evaluation of ( E )-dimethyl 2-(ferrocenylethynyl)-3-(4-nitrophenylethynyl)fumarate, on irradiation with light at 546 and 578nm. Application Toluene-d 8 can be used as solvent to study the nuclear magnetic resonance spectra of the corresponding polymethylene block copolymers.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Toluenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	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
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

Names and Identifiers

IUPAC Name	1,2,3,4,5-pentadeuterio-6-(trideuteriomethyl)benzene
INCHI	InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D
InChIKey	YXFVVABEGXRONW-JGUCLWPXSA-N
Smiles	CC1=CC=CC=C1
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])[2H])[2H])[2H]
WGK Germany	2
Alternate CAS	108-88-3（unlabelled）
UN Number	1294
Molecular Weight	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=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Refractive Index	1.494
Flash Point(°F)	39.2 °F
Flash Point(°C)	4 °C
Boil Point(°C)	110°C
Melt Point(°C)	-93°C
Molecular Weight	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 Å²
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

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Jin Wang, Haiyu Zhang, Yanqi Sun, Chengming Zhang, Guozhi Tan, Bin Yi, Yuping Wu, Guanghui Kong, Xiong Wen, Jianhua Chen, Yiqin Wu, Jun Tang, Gaokun Zhao. (2023) Study on Cut Tobacco Drying Process Based on HS-GC/MS: Principal Component Analysis, Similarity Analysis, Drying Conditions, and Drying Mechanism. Journal of Chemistry, 2023 (5772916).
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).
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).
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, 323 (128163).
5. He Shuai, Lin Weixi, Yu De, Shi Junwei, Yin Zhen, Sun Changjiu, Liu Haoliang, Zhang Chen, Yuan Jianyu, Bai Sai, Xiao Shumin, Long Guankui, Yuan Mingjian, Jiang Yuanzhi, Chen Yimu, Song Qinghai. (2025) Perovskite spin light-emitting diodes with simultaneously high electroluminescence dissymmetry and high external quantum efficiency. Nature Communications, 16 (1): (1-10).
6. Fange Kong, Ying Zhang, Yilin Liu, Yahe Zhang, Quan Shi, Linzhou Zhang. (2025) Structural speciation of Oxygen-Containing compounds in fossil fuels using Hydrogen/Deuterium exchange ESI High-Resolution mass spectrometry. FUEL, 392 (134888).

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