1,3,5-Trideuterio-2-deuteriooxybenzene

Base Information

Chemical Name:1,3,5-Trideuterio-2-deuteriooxybenzene
CAS No.:80441-87-8
Molecular Formula:C6H2D3OD
Molecular Weight:98.14
Hs Code.:
European Community (EC) Number:693-544-9
DSSTox Substance ID:DTXSID30584388
Nikkaji Number:J1.245.302G
Wikidata:Q82476042
Mol file:80441-87-8.mol

Synonyms:80441-87-8;1,3,5-Trideuterio-2-deuteriooxybenzene;DTXSID30584388;(O,2,4,6-~2~H_4_)Phenol;Phenol-2,4,6-d3,OD, 98 atom % D;D99075

Suppliers and Price of 1,3,5-Trideuterio-2-deuteriooxybenzene

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.
Phenol-2,4,6-d3,OD
0.1 g
$ 760.00

Total 2 raw suppliers

Chemical Property of 1,3,5-Trideuterio-2-deuteriooxybenzene

Chemical Property:

PSA：20.23000
Density:1.116 g/mL at 25 °C
LogP:1.39220
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:98.066971794
Heavy Atom Count:7
Complexity:46.1

Purity/Quality:

97% ^*data from raw suppliers

Phenol-2,4,6-d3,OD ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:T
Statements: 23/24/25-34-48/20/21/22-68
Safety Statements: 24/25-26-28-36/37/39-45

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)O
Isomeric SMILES:[2H]C1=CC(=C(C(=C1)[2H])O[2H])[2H]
Uses Phenol-2,4,6-d3,OD (CAS# 80441-87-8) is a useful isotopically labeled research compound.

Technology Process of 1,3,5-Trideuterio-2-deuteriooxybenzene

There total 8 articles about 1,3,5-Trideuterio-2-deuteriooxybenzene 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: 93.0%

: 108-95-2,27073-41-2
phenol

: 80441-87-8
2,4,6-d₃-phenol-OD

Guidance literature:: With hydrogen chloride; In water-d2; at 140 ℃; for 72h; Sealed tube;

Reference yield: 68.0%

: 108-95-2,27073-41-2
phenol

: 13127-88-3,80441-87-8
phenol-d6

Guidance literature:: platinum(IV) oxide; In water-d2; at 250 ℃; for 12h; under 30002.4 Torr;
DOI:10.3987/COM-05-S(T)36

Reference yield:

: 1076-43-3
benzene-d6

: 23951-01-1
<2-D>-phenol

: 4165-62-2
phenol-d5

: 13127-88-3,80441-87-8
phenol-d6

: 64045-83-6
2,3,4,5-tetradeuterio-phenol

: 143134-41-2
C₆H₂⁽²⁾H₄O

: 108-95-2,27073-41-2
phenol

Guidance literature:: With triplet atomic oxygen O(³P); at 20.9 ℃; Mechanism; Product distribution; Rate constant; other temperatures, also in mixtures with benzene (molar ratios C₆H₆:C₆D₆, 0:1, 1:1 and 9:1);