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Toluene-d₈ - 99 atom % D, contains 0.03 % (v/v) TMS, high purity , CAS No.2037-26-5

6 Citations

COA

Grade & Purity:

≥99 atom% D
contains 0.03 % (v/v) TMS

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

T432290

Grouped product items
SKU	Size	Availability	Price	Qty
T432290-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$180.90
T432290-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$692.90

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, contains 0.03 % (v/v) TMS
Product Description	Toluene-d8 is a non polar, aromatic solvent. Toluene-d 8 is a deuterated NMR solvent containing 0.03% (v/v) TMS (tetramethylsilane). It is useful in NMR-based research and analyses. Its 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-d 8 has been studied.

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

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