Phenylacetylene-d6

Base Information

Chemical Name:Phenylacetylene-d6
CAS No.:25837-47-2
Molecular Formula:C₈H₆
Molecular Weight:108.088
Hs Code.:
European Community (EC) Number:687-121-8
DSSTox Substance ID:DTXSID90584102
Nikkaji Number:J1.895.028F
Wikidata:Q82475734
Mol file:25837-47-2.mol

Synonyms:Phenylacetylene-d6;25837-47-2;1,2,3,4,5-pentadeuterio-6-(2-deuterioethynyl)benzene;1-(Ethynyl-d)benzene-2,3,4,5,6-d5;Ethynylbenzene-d6;DTXSID90584102;Benzene-D5,ethynyl-d-(8ci,9ci);Phenylacetylene-d6, 95 atom % D;HY-W394282;1-(~2~H)Ethynyl(~2~H_5_)benzene;CS-0505992;D98999;J-016147

Suppliers and Price of Phenylacetylene-d6

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

Sigma-Aldrich
Phenylacetylene-d6 95 atom % D
100mg
$ 205.00

Medical Isotopes, Inc.
Phenylacetylene-d6
0.25 g
$ 895.00

Medical Isotopes, Inc.
Phenylacetylene-d6
0.5 g
$ 1595.00

American Custom Chemicals Corporation
PHENYLACETYLENE-D6 95.00%
500MG
$ 1061.16

American Custom Chemicals Corporation
PHENYLACETYLENE-D6 95.00%
250MG
$ 848.93

Total 7 raw suppliers

Chemical Property of Phenylacetylene-d6

Chemical Property:

Refractive Index:n20/D 1.457(lit.)
Boiling Point:142-144 °C(lit.)
Flash Point:88 °F
PSA：0.00000
Density:0.984 g/mL at 25 °C(lit.)
LogP:1.66790
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:1
Exact Mass:108.0846106671
Heavy Atom Count:8
Complexity:98.5

Purity/Quality:

98%min ^*data from raw suppliers

Phenylacetylene-d6 95 atom % D ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 10-36/37/38-40-65-36/38
Safety Statements: 16-26-36/37/39-45-62-36-23

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C#CC1=CC=CC=C1
Isomeric SMILES:[2H]C#CC1=C(C(=C(C(=C1[2H])[2H])[2H])[2H])[2H]
Uses Phenylacetylene-d6 (CAS# 25837-47-2) is a useful isotopically labeled research compound.

Technology Process of Phenylacetylene-d6

There total 3 articles about Phenylacetylene-d6 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: 60.0%

: C₆CCCl₃⁽²⁾H₇

: 25837-46-1
ethynylbenzene-D5

: 25837-47-2
phenylacetylene-d6

Guidance literature:: C₆CCCl₃⁽²⁾H₇; With chromium dichloride; triethylamine; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

at 20 ℃; Mechanism; Inert atmosphere; Acidic aq. solution;
DOI:10.1002/ejoc.200901476