1,4-Dibromobenzene-d4

Base Information

• Chemical Name: 1,4-Dibromobenzene-d4
• CAS No.: 4165-56-4
• Molecular Formula: C6Br2D4
• Molecular Weight: 239.874
• Hs Code.: 28459000
• European Community (EC) Number: 690-120-5
• DSSTox Substance ID: DTXSID60369903
• Nikkaji Number: J441.096C
• Wikidata: Q82157182
• Mol file: 4165-56-4.mol

Synonyms:1,4-Dibromobenzene-d4;4165-56-4;1,4-dibromo-2,3,5,6-tetradeuteriobenzene;p-dibromobenzene-d4;dibromo(?H?)benzene;SCHEMBL315703;AMY009;DTXSID60369903;CS-CE-00846;MFCD00045021;AKOS015944787;1,4-Dibromobenzene-d4, 98 atom % D;D98926

Chemical Property of 1,4-Dibromobenzene-d4

Chemical Property:

• Vapor Pressure: 0.191mmHg at 25°C
• Melting Point: 88-90 °C(lit.)
• Refractive Index: 1.599
• Boiling Point: 217.9 °C at 760 mmHg
• Flash Point: 89.3 °C
• PSA: 0.00000
• Density: 1.969 g/cm³
• LogP: 3.21160
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 239.89103
• Heavy Atom Count: 8
• Complexity: 54.9

Purity/Quality:

98%,99%, ^*data from raw suppliers

1,4-Dibromobenzene-d4 98 atom % D ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1Br)Br
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1Br)[2H])[2H])Br)[2H]

Technology Process of 1,4-Dibromobenzene-d4

There total 3 articles about 1,4-Dibromobenzene-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: 93.6%

1.4-dibromobenzene (106-37-6) → 1,4-dibromotetradeuterobenzene (4165-56-4)

Guidance literature:

With water-d2; silver(l) oxide; 2-(dicyclohexylphosphino)-2'-methylbiphenyl; In toluene; at 60 - 120 ℃; Reagent/catalyst;

Reference yield: 20.0%

benzene-d6 (1076-43-3) → bromobenzene-d5 (4165-57-5) + 1,4-dibromotetradeuterobenzene (4165-56-4)

Guidance literature:

With bromine; In pyridine;

DOI:10.1016/0584-8539(83)80001-4

Reference yield:

→ 1,4-dibromotetradeuterobenzene (4165-56-4)

Guidance literature:

Mischung von Eisenfeilspaenen, Hexadeuterobenzol, Brom (neben Brompentadeuterobenzol);

upstream raw materials:

1.4-dibromobenzene

benzene-d6

Downstream raw materials:

C₁₂⁽²⁾H₉BrO

Refernces

• 1、 -. "Deuterated polyhalogen aromatic compound and preparation method thereof, and organic intermediate". Paragraph 0033-0057. . Retrieved 2021/07/24.
• 2、 Liu, Kai-Hui,Hu, Guang-Qi,Wang, Cai-Xia,Sheng, Fei-Fei,Bai, Jing-Wen,Gu, Jian-Guo,Zhang, Hong-Hai. "C-H Bond Functionalization of (Hetero)aryl Bromide Enabled Synthesis of Brominated Biaryl Compounds". supporting information. p. 5626 - 5630. Retrieved 2021/08/03.