1,2,3,4,5-Pentadeuterio-6-(1,1-dideuterioethyl)benzene

Base Information

Chemical Name:1,2,3,4,5-Pentadeuterio-6-(1,1-dideuterioethyl)benzene
CAS No.:84272-90-2
Molecular Formula:C₈H₁₀
Molecular Weight:116.088
Hs Code.:
European Community (EC) Number:685-203-8
DSSTox Substance ID:DTXSID00584350
Wikidata:Q82476001
Mol file:84272-90-2.mol

Synonyms:84272-90-2;1,2,3,4,5-pentadeuterio-6-(1,1-dideuterioethyl)benzene;ETHYL-ALPHA,ALPHA-D2-BENZENE-D5;DTXSID00584350;Ethyl-1,1-d2 benzene-d5, 99 atom % D;D98701;1-(1,1-~2~H_2_)Ethyl(~2~H_5_)benzene

Suppliers and Price of 1,2,3,4,5-Pentadeuterio-6-(1,1-dideuterioethyl)benzene

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Medical Isotopes, Inc.
Ethyl-α,α-d2-benzene-d5
0.5 g
$ 1450.00

Medical Isotopes, Inc.
Ethyl-α,α-d2-benzene-d5
0.25 g
$ 805.00

Total 2 raw suppliers

Chemical Property of 1,2,3,4,5-Pentadeuterio-6-(1,1-dideuterioethyl)benzene

Chemical Property:

Boiling Point:136 °C(lit.)
Flash Point:72 °F
PSA：0.00000
Density:0.923 g/mL at 25 °C
LogP:2.24900
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:1
Exact Mass:113.122187541
Heavy Atom Count:8
Complexity:51.1

Purity/Quality:

99% atom D ^*data from raw suppliers

Ethyl-α,α-d2-benzene-d5 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:F,Xn
Statements: 11-20
Safety Statements: 16-24/25-29

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1=CC=CC=C1
Isomeric SMILES:[2H]C1=C(C(=C(C(=C1[2H])[2H])C([2H])([2H])C)[2H])[2H]
Uses Ethyl-alpha,alpha-d2-benzene-d5 (CAS# 84272-90-2) is a useful isotopically labeled research compound.

Technology Process of 1,2,3,4,5-Pentadeuterio-6-(1,1-dideuterioethyl)benzene

There total 2 articles about 1,2,3,4,5-Pentadeuterio-6-(1,1-dideuterioethyl)benzene 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: 80.0%