Toluene-D8

Base Information

• Chemical Name: Toluene-D8
• CAS No.: 2037-26-5
• Molecular Formula: C7D8
• Molecular Weight: 100.077
• Hs Code.: 28459000
• European Community (EC) Number: 218-009-5
• DSSTox Substance ID: DTXSID9074301
• Nikkaji Number: J235.966I
• Wikidata: Q13640590
• Mol file: 2037-26-5.mol

Synonyms:TOLUENE-D8;2037-26-5;Toluene D8;Benzene-d5, methyl-d3-;Perdeuteriotoluene;(2H8)Toluene;1,2,3,4,5-pentadeuterio-6-(trideuteriomethyl)benzene;Perdeuterated toluene;Perdeuterotoluene;Benzene-D5-, methyl-D3-;EINECS 218-009-5;MFCD00044638;Toluene D8 2000 microg/mL in Methanol;Toluene-d8, 99 atom % D;Toluene-d8, 99.6 atom % D;1-(methyl-d3)benzene-2,3,4,5,6-d5;Toluene-d8, "100%", 99.96 atom % D;OCTADEUTEROTOLUENE;C7D8;Toluene D8 >99.5%;C6D5CD3;1-(?H?)methyl(?H?)benzene;Toluene-d8, analytical standard;DTXSID9074301;CHEBI:193048;C7-D8;AKOS015891305;CS-T-62117;Toluene D8 250 microg/mL in Methanol;Toluene D8 1000 microg/mL in Methanol;Toluene-d8, anhydrous, 99.6 atom % D;F88217;BENZENE-1,2,3,4,5-D5,6-(METHYL-D3)-;Q13640590;Toluene-d8, 99 atom % D, contains 1 % (v/v) TMS;Toluene-d8, 99 atom % D, contains 0.03 % (v/v) TMS;Toluene-d8, 99.6 atom % D, contains 0.03 % (v/v) TMS

Chemical Property of Toluene-D8

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 27.7mmHg at 25°C
• Melting Point: -84 °C
• Refractive Index: 1.499
• Boiling Point: 110.602 °C at 760 mmHg
• Flash Point: 10 °C
• PSA: 0.00000
• Density: 0.948 g/cm³
• LogP: 1.99500
• Storage Temp.: 0-6°C
• Water Solubility.: Soluble in water.0.5 g/L (20°C)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 100.112814223
• Heavy Atom Count: 7
• Complexity: 42

Purity/Quality:

98%,99%, ^*data from raw suppliers

Toluene-d8 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xn,T
• Hazard Codes: F,Xn,T
• Statements: 11-38-48/20-63-65-67-39/23/24/25-23/24/25
• Safety Statements: 36/37-46-62-45-16-7

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Aromatic Solvents
• Canonical SMILES: CC1=CC=CC=C1
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])[2H])[2H])[2H]
• Uses: Toluene-d8 is the labelled version of Toluene, a hydrocarbon fuel with many applications. It is also highly biotoxic, with sterilization applications to microbial cultures and the ability to lyse bact erial cells. Toluene-d8 can be used as solvent to study the nuclear magnetic resonance spectra of the corresponding polymethylene block copolymers.

Technology Process of Toluene-D8

There total 11 articles about Toluene-D8 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 78.8%

pentabromotoluene (87-83-2,26101-97-3) → (2)H8-toluene (2037-26-5)

Guidance literature:

With sodium borodeuteride; deuterium; palladium on activated charcoal; In tetrahydrofuran; at 25 - 65 ℃; for 25h; Reagent/catalyst; Autoclave; Inert atmosphere;

Reference yield: 62.4%

pentachlorotoluene (877-11-2) → (2)H8-toluene (2037-26-5)

Guidance literature:

With lithium aluminium deuteride; deuterium; palladium on activated charcoal; In diethyl ether; at 25 - 45 ℃; for 24.6h; Reagent/catalyst; Temperature; Autoclave; Inert atmosphere;

Reference yield: 59.2%

2,3,4,5,6-pentafluorotoluene (771-56-2) → (2)H8-toluene (2037-26-5)

Guidance literature:

With lithium aluminium deuteride; deuterium; In tetrahydrofuran; at 25 - 70 ℃; for 25h; Autoclave; Inert atmosphere;

upstream raw materials:

acetylene-d2

toluene

(iPr3P)2Ni(η(6)-d8-toluene)

nitrogen

Downstream raw materials:

C₁₃H₃⁽²⁾H₇N₃O₅

C₁₃H₃⁽²⁾H₇N₃O₆

benzaldehyde-d6

benzyl alcohol-d7

Refernces

• 1、 Polukeev, Alexey V.,Marcos, Rocío,Ahlquist, M?rten S. G.,Wendt, Ola F.. "Iridium Hydride Complexes with Cyclohexyl-Based Pincer Ligands: Fluxionality and Deuterium Exchange". . p. 2600 - 2608. Retrieved 2016/09/04.
• 2、 Lee, Joo Ho,Yoo, Kyung Soo,Park, Chan Pil,Olsen, Janet M.,Sakaguchi, Satoshi,Prakash, G. K. Surya,Mathew, Thomas,Jung, Kyung Woon. "An Air/water-stable tridentate N-heterocyclic carbene-palladium(II) Complex: Catalytic C-H activation of hydrocarbons via hydrogen/deuterium exchange process in deuterium oxide". experimental part. p. 563 - 568. Retrieved 2009/11/30.