4-Bromofluorobenzene-d4

Base Information

Chemical Name:4-Bromofluorobenzene-d4
CAS No.:50592-31-9
Molecular Formula:C6BrD4F
Molecular Weight:178.968
Hs Code.:
European Community (EC) Number:694-090-4
DSSTox Substance ID:DTXSID50460115
Wikidata:Q82284033
Mol file:50592-31-9.mol

Synonyms:4-Bromofluorobenzene-d4;50592-31-9;p-Bromofluorobenzene-d4;1-Bromo-4-fluorobenzene-d4;1-bromo-2,3,5,6-tetradeuterio-4-fluorobenzene;4-Fluorobromobenzene-d4;SCHEMBL3069929;1-bromo-4-fluoro(?H?)benzene;HY-I0202S;DTXSID50460115;AKOS015944733;CS-0590209;D98618;1-Bromo-4-fluorobenzene-d4, 98 atom % D, 98% (CP)

Suppliers and Price of 4-Bromofluorobenzene-d4

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

Usbiological
p-Bromofluorobenzene-d4
50mg
$ 403.00

TRC
p-Bromofluorobenzene-d4
250mg
$ 405.00

Medical Isotopes, Inc.
4-Bromofluorobenzene-d4
500 mg
$ 390.00

Biosynth Carbosynth
4-Bromofluorobenzene-D4
100 mg
$ 390.00

Biosynth Carbosynth
4-Bromofluorobenzene-D4
50 mg
$ 235.00

Biosynth Carbosynth
4-Bromofluorobenzene-D4
25 mg
$ 150.00

Biosynth Carbosynth
4-Bromofluorobenzene-D4
10 mg
$ 75.00

Biosynth Carbosynth
4-Bromofluorobenzene-D4
250 mg
$ 615.00

American Custom Chemicals Corporation
1-BROMO-4-FLUOROBENZENE-D4 95.00%
1G
$ 861.05

AK Scientific
4-Bromofluorobenzene-d4
100mg
$ 576.00

Total 26 raw suppliers

Chemical Property of 4-Bromofluorobenzene-d4

Chemical Property:

Melting Point:-16 °C (lit.)
Boiling Point:154.5 °C at 760 mmHg
Flash Point:49.3 °C
PSA：0.00000
Density:1.63 g/cm³
LogP:2.58820
Storage Temp.:Refrigerator
Solubility.:Chloroform (Sparingly), Ethyl Acetate (Slightly)
XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:177.97315
Heavy Atom Count:8
Complexity:66.9

Purity/Quality:

99% ^*data from raw suppliers

p-Bromofluorobenzene-d4 ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 20-36/37/38
Safety Statements: 26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1F)Br
Isomeric SMILES:[2H]C1=C(C(=C(C(=C1F)[2H])[2H])Br)[2H]
Uses p-Bromofluorobenzene-d4 is the isotope labelled analog of p-Bromofluorobenzene (B684545); a dihalogenated benzene used in the preparation of pharmaceutical compounds such as atypical antipsychotic agents.

Technology Process of 4-Bromofluorobenzene-d4

There total 1 articles about 4-Bromofluorobenzene-d4 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: 83.4%

: 1423-10-5
fluorobenzene-d5

: 50592-31-9
1-bromo-4-fluoro-[2,3,5,6-2H₄]benzene

Guidance literature:: With bromine; iron(III) chloride; In dichloromethane; at 18 ℃; for 1.5h;
DOI:10.1002/jlcr.936

Reference yield: 88.62%

: 50592-31-9
1-bromo-4-fluoro-[2,3,5,6-2H₄]benzene

: C₂₆H₁₇NO

: C₃₂H₁₆⁽²⁾H₄FNO

Guidance literature:: With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tri-tert-butyl phosphine; sodium t-butanolate; In toluene; at 90 ℃; for 5h; Inert atmosphere;

Reference yield: 57.0%

: 50592-31-9
1-bromo-4-fluoro-[2,3,5,6-2H₄]benzene

: 78191-00-1
N-Methoxy-N-methylacetamide

: 1335333-86-2
1-(2,3,5.6-tetradeutero-4-fluorophenyl)ethanone

Guidance literature:: 1-bromo-4-fluoro-[2,3,5,6-2H₄]benzene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

N-Methoxy-N-methylacetamide; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;
DOI:10.1021/jacs.8b06777