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Toluene-d8 - D,99.60%, high purity , CAS No.2037-26-5

6 Citations

COA

Grade & Purity:

≥99.6 atom% D

Cas Number: 2037-26-5
Molecular Weight: 100.19
Beilstein Registry Number: 1909300
EC Number: 218-009-5
MDL number: MFCD00044638
PubChem CID: 74861
PubChem SID: 504754875

In stock

Item Number

T102274

Grouped product items
SKU	Size	Availability	Price
T102274-1g	1g	2	$39.90
T102274-5g	5g	3	$169.90
T102274-10×0.75ml	10×0.75ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$239.90
T102274-10×1ml	10×1ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$299.90
T102274-10g	10g	2	$259.90
T102274-25g	25g	3	$519.90

View related series

Solvent (76) Spectroscopic reagent (233)

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	≥99.6 atom% D
Storage Temp	Protected from light,Argon charged
Shipped In	Normal
Product Description	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.

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

Pubchem Sid	504754875
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504754875
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:

Find and download the COA for your product by matching the lot number on the packaging.

32 results found

Lot Number	Certificate Type	Date	Item
D2304102	Certificate of Analysis	Jan 15, 2025	T102274
D2304105	Certificate of Analysis	Jan 15, 2025	T102274
D2304093	Certificate of Analysis	Jan 15, 2025	T102274
A2510569	Certificate of Analysis	Dec 31, 2024	T102274
A2510584	Certificate of Analysis	Dec 31, 2024	T102274
A2510586	Certificate of Analysis	Dec 31, 2024	T102274
A2510556	Certificate of Analysis	Dec 31, 2024	T102274
A2510585	Certificate of Analysis	Dec 31, 2024	T102274
H2216114	Certificate of Analysis	May 11, 2024	T102274
H2216113	Certificate of Analysis	May 11, 2024	T102274
H2216115	Certificate of Analysis	May 11, 2024	T102274
H2216116	Certificate of Analysis	May 11, 2024	T102274
H2216112	Certificate of Analysis	May 11, 2024	T102274
D2403549	Certificate of Analysis	Mar 27, 2024	T102274
D2403551	Certificate of Analysis	Mar 27, 2024	T102274
D2403550	Certificate of Analysis	Mar 27, 2024	T102274
D2403566	Certificate of Analysis	Mar 27, 2024	T102274
J2411084	Certificate of Analysis	Mar 27, 2024	T102274
J2411085	Certificate of Analysis	Mar 27, 2024	T102274
L2417181	Certificate of Analysis	Mar 27, 2024	T102274
L2417182	Certificate of Analysis	Mar 27, 2024	T102274
C2202327	Certificate of Analysis	Dec 21, 2023	T102274
C2202357	Certificate of Analysis	Dec 21, 2023	T102274
C2202319	Certificate of Analysis	Dec 21, 2023	T102274
K2125200	Certificate of Analysis	Aug 21, 2023	T102274
K2125216	Certificate of Analysis	Aug 21, 2023	T102274
L1926133	Certificate of Analysis	Aug 02, 2023	T102274
D2304115	Certificate of Analysis	Jan 11, 2023	T102274
D2304103	Certificate of Analysis	Jan 11, 2023	T102274
D2304104	Certificate of Analysis	Jan 11, 2023	T102274
H2216117	Certificate of Analysis	Aug 05, 2022	T102274
C2202376	Certificate of Analysis	Dec 11, 2021	T102274

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Chemical and Physical Properties

Solubility	Soluble in water.0.5 g/L (20°C)
Sensitivity	Moisture sensitive；Light sensitive
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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