Bis(4-chlorobenzoyl) peroxide

Base Information

• Chemical Name: Bis(4-chlorobenzoyl) peroxide
• CAS No.: 94-17-7
• Deprecated CAS: 1071717-87-7
• Molecular Formula: C14H8 Cl2 O4
• Molecular Weight: 311.121
• Hs Code.: 2916399090
• European Community (EC) Number: 202-310-3
• UNII: 78776C973U
• DSSTox Substance ID: DTXSID9059098
• Nikkaji Number: J2.841J
• Wikidata: Q27266645
• Mol file: 94-17-7.mol

Synonyms:Bis(4-chlorobenzoyl) peroxide;Peroxide, bis(4-chlorobenzoyl);p-Chlorobenzoyl peroxide;Luperco BDB;Cadox PS;94-17-7;p,p'-Dichlorobenzoyl peroxide;4-Chlorobenzoyl peroxide;Bis(4-chlorobenzoyl)peroxide;Bis(p-chlorobenzoyl) peroxide;p,p'-Dichlorodibenzoyl peroxide;Peroxide, bis(p-chlorobenzoyl)-;HSDB 2772;EINECS 202-310-3;(4-chlorobenzoyl) 4-chlorobenzenecarboperoxoate;DI-(P-CHLOROBENZOYL) PEROXIDE;BRN 1915514;UNII-78776C973U;78776C973U;4-09-00-00984 (Beilstein Handbook Reference);p-Chlorbenzoylperoxyd;DZP (CHRIS Code);bis(4-chlorbenzoyl)peroxid;SCHEMBL22619;C14H8Cl2O4;bis(p-chloro-benzoyl) peroxide;DTXSID9059098;CHLOROBENZOYL PEROXIDE, P-;NA2113;NA2115;UN2113;UN2115;4,4'-DICHLOROBENZOYL PEROXIDE;PEROXIDE, BIS(P-CHLOROBENZOYL);LS-102453;BIS(4-CHLOROBENZOYL) PEROXIDE [HSDB];Q27266645;4-Chloro-benzenecarboperoxoic acid 4-chloro-benzoyl ester

Chemical Property of Bis(4-chlorobenzoyl) peroxide

Chemical Property:

• Vapor Pressure: 1.69E-07mmHg at 25°C
• Melting Point: 137-138 °C
• Boiling Point: 427.1°C at 760 mmHg
• Flash Point: 173.9°C
• PSA: 52.60000
• Density: 1.433g/cm³
• LogP: 3.92220
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 309.9799641
• Heavy Atom Count: 20
• Complexity: 311

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Dangerous fire and explosion risk, explodes when heated to 38C, strong oxidizer, will ignite on contact with organic materials. Store in dark, cool locality. Toxic.
• Hazard Codes: Dangerous fire and explosion risk, explodes when heated to 38C, strong oxidizer, will ignite on contact with organic materials. Store in dark, cool locality. Toxic.

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Peroxides, Organic
• Canonical SMILES: C1=CC(=CC=C1C(=O)OOC(=O)C2=CC=C(C=C2)Cl)Cl
• Uses: Curing agent for silicone rubbers.

Technology Process of Bis(4-chlorobenzoyl) peroxide

There total 4 articles about Bis(4-chlorobenzoyl) peroxide 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: 84.0%

4-chloro-benzoyl chloride (122-01-0) → bis(4-chlorobenzoyl)peroxide (94-17-7)

Guidance literature:

With dihydrogen peroxide; In diethyl ether; water; for 0.166667h;

DOI:10.1021/ol900756g

Reference yield:

1-(4-chloro-benzoyl)-1H-imidazole (10364-95-1) → bis(4-chlorobenzoyl)peroxide (94-17-7)

Guidance literature:

With dihydrogen peroxide;

Reference yield:

para-chlorobenzoic acid (74-11-3) → bis(4-chlorobenzoyl)peroxide (94-17-7)

Guidance literature:

Multistep reaction; (i) N,N'-carbonyl-diimidazole, (ii) H₂O₂;

upstream raw materials:

4-chloro-benzoyl chloride

1-(4-chloro-benzoyl)-1H-imidazole

para-chlorobenzoic acid

Downstream raw materials:

2-(4-chlorophenyl)pyridine

4-(4-chlorophenyl)pyridine

p-chloroperbenzoic acid

4,4'-dichlorobiphenyl

Refernces

• 1、 Chen, Jiangfei,Zhu, Yan-Ping,Li, Jin-Heng,Wang, Qiu-An. "External-oxidant-free amino-benzoyloxylation of unactivated alkenes of unsaturated ketoximes with: O -benzoylhydroxylamines". supporting information. p. 5215 - 5218. Retrieved 2021/05/31.
• 2、 Yao, Xinghui,Weng, Xin,Wang, Kaixuan,Xiang, Haifeng,Zhou, Xiangge. "Transition metal free oxygenation of 8-aminoquinoline amides in water". supporting information. p. 2472 - 2476. Retrieved 2018/06/11.