Chlorobenzene-3,5-D2

Base Information

• Chemical Name: Chlorobenzene-3,5-D2
• CAS No.: 59164-10-2
• Molecular Formula: C6H3ClD2
• Molecular Weight: 114.543
• Mol file: 59164-10-2.mol

Synonyms:benzene-1,3-d2, 5-chloro-;

Chemical Property of Chlorobenzene-3,5-D2

Chemical Property:

• Boiling Point: 131.719 °C at 760 mmHg
• Flash Point: 23.889 °C
• PSA: 0.00000
• Density: 1.13 g/cm³
• LogP: 2.34000

Purity/Quality:

99% ^*data from raw suppliers

Chlorobenzene-3,5-d2 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Chlorobenzene-3,5-d2 (CAS# 59164-10-2) is a useful isotopically labeled research compound.

Technology Process of Chlorobenzene-3,5-D2

There total 2 articles about Chlorobenzene-3,5-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: 97.0%

1,3-dibromo-5-chlorobenzene (14862-52-3) → 3,5-(2)H2-chlorobenzene (59164-10-2)

Guidance literature:

With sodium amalgam; deuteromethanol; for 2h; Heating;

DOI:10.1021/jo9619037

Reference yield:

4-chloro-2,6-dideuteroaniline (35749-94-1) → 3,5-(2)H2-chlorobenzene (59164-10-2)

Guidance literature:

4-chloro-2,6-dideuteroaniline; With tetrafluoroboric acid; sodium nitrite; In water; at 0 ℃; for 0.5h;

With copper(I) oxide; hypophosphorous acid; In dichloromethane; water; at 0 ℃; for 0.5h;

DOI:10.1002/chem.201002577

Reference yield:

3,5-(2)H2-chlorobenzene (59164-10-2) + chlorobenzene (108-90-7) → 3-monochlorophenol (108-43-0) + 2-monochlorophenol (95-57-8) + C6H4(2)HClO (74383-31-6) + C6H3(2)H2ClO + C6H3(2)H2ClO (124286-03-9) + C6H3(2)H2ClO (124286-01-7) + 4-chloro-phenol (106-48-9,82344-39-6)

Guidance literature:

With [Fe(II)(bpmen)(CH₃CN)2](ClO₄)2; dihydrogen peroxide; acetic acid; In acetonitrile; at 20 ℃; for 0.5h;

DOI:10.1002/chem.201002577

upstream raw materials:

1,3-dibromo-5-chlorobenzene

4-chloro-2,6-dideuteroaniline

Downstream raw materials:

3-monochlorophenol

2-monochlorophenol

C₆H₄⁽²⁾HClO

C₆H₃⁽²⁾H₂ClO

Refernces

• 1、 Miura, Yozo,Oka, Hiroyuki,Yamano, Eiji,Morita, Masanori. "Convenient Deuteration of Bromo Aromatic Compounds by Reductive Debromination with Sodium Amalgam in CH3OD". . p. 1188 - 1190. Retrieved 2007/10/03.