p,p'-DDD

Base Information

• Chemical Name: p,p'-DDD
• CAS No.: 72-54-8
• Molecular Formula: C14H10 Cl4
• Molecular Weight: 320.045
• Hs Code.: 2903999090
• European Community (EC) Number: 200-783-0
• NSC Number: 8941
• UN Number: 2761
• UNII: V14159DF29
• DSSTox Substance ID: DTXSID4020373
• Nikkaji Number: J2.378G
• Wikipedia: Dichlorodiphenyldichloroethane
• Wikidata: Q417682
• Metabolomics Workbench ID: 51478
• ChEMBL ID: CHEMBL196590
• Mol file: 72-54-8.mol

Synonyms:DDD;Dichlorodiphenyldichloroethane;TDE

Chemical Property of p,p'-DDD

Chemical Property:

• Appearance/Colour: colourless to off-white crystals
• Melting Point: 109 C
• Boiling Point: 193 C
• Flash Point: 11oC
• PSA: 0.00000
• Density: 1.385 g/cm3
• LogP: 5.92900
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 319.950711
• Heavy Atom Count: 18
• Complexity: 218
• Transport DOT Label: Poison

Purity/Quality:

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

Safty Information:

• Pictogram(s): Toxic by ingestion, inhalation, and skin absorption; use restricted in some states.
• Hazard Codes: T:Toxic
• Statements: R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
• Safety Statements: S23:Do not inhale gas/fumes/vapour/spray.; S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Organochlorine Pesticides
• Canonical SMILES: C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl

Technology Process of p,p'-DDD

There total 49 articles about p,p'-DDD 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: 99.0%

p,p'-DDT (50-29-3,29411-63-0) → 1,1-Dichloro-2,2-bis(p-chlorophenyl)ethane (72-54-8)

Guidance literature:

With triethanolamine; C₆₂H₈₀CoN₇O₁₃*1.28C₄₁H₃₅N₇ORu⁽²⁺⁾*53C₉H₁₅N₂⁽¹⁺⁾*55.56CF₃O₂S^(1-); 1-butyl-3-methylimidazolium trifluoromethanesulfonimide; at 20 ℃; for 2h; Reagent/catalyst; Irradiation; Inert atmosphere;

DOI:10.1039/c4dt01360c

Reference yield: 66.0%

p,p'-DDT (50-29-3,29411-63-0) → 1,1-Dichloro-2,2-bis(p-chlorophenyl)ethane (72-54-8) + 1,1-bis(4-chlorophenyl)ethane (3547-04-4)

Guidance literature:

With hydrogen; triethylamine; palladium on activated charcoal; In methanol; at 20 ℃; for 0.166667h;

DOI:10.1016/j.tet.2006.06.041

Reference yield: 30.0%

p,p'-DDT (50-29-3,29411-63-0) → 1,1'-ethylidenebis-benzene (612-00-0) + 1,1-Dichloro-2,2-bis(p-chlorophenyl)ethane (72-54-8) + 1,1-bis(4-chlorophenyl)ethane (3547-04-4) + 1-(p-chlorophenyl)-1-phenylethane (60617-89-2)

Guidance literature:

With hydrogen; triethylamine; palladium on activated charcoal; In methanol; at 20 ℃; for 0.5h;

DOI:10.1016/j.tet.2006.06.041

upstream raw materials:

diethyl ether

p,p'-DDT

ethanol

dichloroacetaldehyde diethyl acetal

Downstream raw materials:

1-chloro-2,2-bis(p-chlorophenyl)ethylene

1,1-bis(4-chlorophenyl)ethane

4,4'-dichlorostylbene

bis(4-chlorophenyl)acetylene

Refernces

• 1、 Castro. "". . p. 2310. Retrieved 1964.
• 2、 Singh,Singh. "Photo-degradation of DDT in micellar medium". . p. 1131 - 1131. Retrieved 1986.
• 3、 Hisaeda, Yoshio,Moniruzzaman, Mohammad,Ono, Toshikazu,Shimakoshi, Hisashi,Yano, Yoshio. "Aerobic Electrochemical Transformations of DDT to Oxygen-Incorporated Products Catalyzed by a B12 Derivative". supporting information. p. 2784 - 2791. Retrieved 2022/01/19.
• 4、 Sun, Ying,Zhang, Wei,Ma, Tian-Yi,Zhang, Yu,Shimakoshi, Hisashi,Hisaeda, Yoshio,Song, Xi-Ming. "Enhanced photocatalytic activity of a B12-based catalyst co-photosensitized by TiO2 and Ru(II) towards dechlorination". . p. 662 - 670. Retrieved 2018/01/17.