o,o'-DDT

Base Information

• Chemical Name: o,o'-DDT
• CAS No.: 6734-84-5
• Molecular Formula: C14H9Cl5
• Molecular Weight: 354.49
• UNII: 9PKQ561D85
• DSSTox Substance ID: DTXSID9074937
• Wikidata: Q27272870
• Mol file: 6734-84-5.mol

Synonyms:o,o'-DDT;6734-84-5;UNII-9PKQ561D85;9PKQ561D85;Benzene, 1,1'-(2,2,2-trichloroethylidene)bis(2-chloro-;Ethane, 1,1,1-trichloro-2,2-bis(o-chlorophenyl)-;1,1'-(2,2,2-Trichloroethylidene)bis(2-chlorobenzene);1,1'-(2,2,2-Trichloroethylidene)bis[2-chlorobenzene];Benzene, 1,1'-(2,2,2-trichloroethylidene)bis[2-chloro-;SCHEMBL466578;DDT, O,O'-;DTXSID9074937;1-chloro-2-[2,2,2-trichloro-1-(2-chlorophenyl)ethyl]benzene;2,2'-DDT;1,1-bis(chlorophenyl)-2,2,2-trichloroethane;2,2-bis(chlorophenyl)-1,1,1-trichloroethane;1,1,1-Trichloro-2,2-bis(o-chlorophenyl)-ethane;Benzene, 1,1'-(trichloroethylidene)bis[2-chloro-;Q27272870;1,1,1-TRICHLORO-2,2-BIS(O-CHLOROPHENYL)ETHANE

Chemical Property of o,o'-DDT

Chemical Property:

• Boiling Point: 403.1°Cat760mmHg
• Flash Point: 194.2°C
• Density: 1.451g/cm³
• XLogP3: 6.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 353.911739
• Heavy Atom Count: 19
• Complexity: 266

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(C2=CC=CC=C2Cl)C(Cl)(Cl)Cl)Cl

Technology Process of o,o'-DDT

There total 3 articles about o,o'-DDT 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:

2,2,2-trichloro-1-(2-chloro-phenyl)-ethanol (10291-39-1) + chlorobenzene (108-90-7) → o,p'-DDT (789-02-6,58633-26-4) + 1,1,1-trichloro-2,2-bis-(o-chlorophenyl)ethane (6734-84-5)

Guidance literature:

With sulfuric acid; at 45 - 60 ℃;

DOI:10.1021/ja01225a058 DOI:10.1002/hlca.19460290523 DOI:10.1016/S0171-2985(01)80004-8

Reference yield:

2,2,2-trichloro-1-(2-chloro-phenyl)-ethanol (10291-39-1) + sulfuric acid (7664-93-9) + chlorobenzene (108-90-7) → o,p'-DDT (789-02-6,58633-26-4) + 1,1,1-trichloro-2,2-bis-(o-chlorophenyl)ethane (6734-84-5)

Guidance literature:

at 45 - 60 ℃;

DOI:10.1021/ja01225a058 DOI:10.1002/hlca.19460290523 DOI:10.1016/S0171-2985(01)80004-8

Reference yield:

2-chlorophenylmagnesium bromide (36692-27-0) → 1,1,1-trichloro-2,2-bis-(o-chlorophenyl)ethane (6734-84-5)

Guidance literature:

Multi-step reaction with 2 steps

1: diethyl ether / 0 °C

2: concentrated H₂SO₄ / 45 - 60 °C

With diethyl ether; sulfuric acid;

DOI:10.1021/ja01225a058

upstream raw materials:

2,2,2-trichloro-1-(2-chloro-phenyl)-ethanol

chlorobenzene

sulfuric acid

2-chlorophenylmagnesium bromide

Downstream raw materials:

1,1-bis(chlorophenyl)-2,2-dichloroethylene

1,1'-methylenebis(2-chlorobenzene)

2-chloro-α-(2-chlorophenyl)benzeneacetic acid