1-Bromooctane-1,1-D2

Base Information

Chemical Name:1-Bromooctane-1,1-D2
CAS No.:86423-34-9
Molecular Formula:C₈H₁₇Br
Molecular Weight:195.111
Hs Code.:
DSSTox Substance ID:DTXSID301315409
Mol file:86423-34-9.mol

Synonyms:1-BROMOOCTANE-1,1-D2;86423-34-9;1-bromo-1,1-dideuteriooctane;1,1-dideutero-n-octyl bromide;DTXSID301315409;HY-W032015S1;CS-0568240;D99457

Suppliers and Price of 1-Bromooctane-1,1-D2

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.
1-Bromooctane-1,1-d2
1 g
$ 1550.00

Medical Isotopes, Inc.
1-Bromooctane-1,1-d2
0.5 g
$ 865.00

American Custom Chemicals Corporation
1-BROMOOCTANE-1,1-D2 95.00%
5MG
$ 496.13

Total 2 raw suppliers

Chemical Property of 1-Bromooctane-1,1-D2

Chemical Property:

PSA：0.00000
LogP:3.74180
XLogP3:4.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:6
Exact Mass:194.06392
Heavy Atom Count:9
Complexity:43.8

Purity/Quality:

98% ^*data from raw suppliers

1-Bromooctane-1,1-d2 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCBr
Isomeric SMILES:[2H]C([2H])(CCCCCCC)Br
Uses 1-Bromooctane-1,1-d2 (CAS# 86423-34-9) is a useful isotopically labeled research compound.

Technology Process of 1-Bromooctane-1,1-D2

There total 6 articles about 1-Bromooctane-1,1-D2 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: 87.0%

: 78510-02-8
<1-²H2>-1-octanol

: 86423-34-9
<1,1-(2)H2>octyl bromide

Guidance literature:: With sulfuric acid; hydrogen bromide; for 6h; Heating;

Reference yield: 68.0%

: C₁₅H₂₂⁽²⁾H₂O₃S

: 86423-34-9
<1,1-(2)H2>octyl bromide

Guidance literature:: With lithium bromide; In acetone; for 18h; Heating;

Reference yield:

: 106-32-1
octanoic acid ethyl ester

: 86423-34-9
<1,1-(2)H2>octyl bromide

Guidance literature:: Multi-step reaction with 2 steps

1: LiAlD₄

2: NaBr, H₂SO₄ / H₂O

With lithium aluminium deuteride; sulfuric acid; sodium bromide; In water;
DOI:10.1021/jp972703h