83-05-6

Basic information

• Product Name: 4,4'-DDA
• Synonyms: TIMTEC-BB SBB003019;2,2-Bis(p-chlorophenyl)acetic acid;2,2-bis(p-Chlorophenyl)aceticacid;4-chloro-.alpha.-(4-chlorophenyl)-Benzeneaceticacid;4-chloro-alpha-(4-chlorophenyl)-benzeneaceticaci;4-chloro-alpha-(4-chlorophenyl)benzeneaceticacid;Acetic acid, bis-(4-chlorophenyl);Acetic acid, bis(p-chlorophenyl)-
• CAS NO: 83-05-6
• Molecular Formula: C₁₄H₁₀Cl₂O₂
• Molecular Weight: 281.13
• EINECS: 201-451-8
• Product Categories: MetabolitesAlphabetic;Environmental Standards;P;PA - PEN;Pesticides&Metabolites
• Mol File: 83-05-6.mol
• Article Data: 9

Chemical Properties

• Melting Point: 167-169 °C(lit.)
• Boiling Point: 392.54°C (rough estimate)
• Flash Point: 202.6 °C
• Appearance: /
• Density: 1.2624 (rough estimate)
• Vapor Pressure: 1.66E-07mmHg at 25°C
• Refractive Index: 1.4730 (estimate)
• Storage Temp.: 0-6°C
• PKA: 4.51±0.10(Predicted)
• BRN: 1913593
• CAS DataBase Reference: 4,4'-DDA(CAS DataBase Reference)
• NIST Chemistry Reference: 4,4'-DDA(83-05-6)
• EPA Substance Registry System: 4,4'-DDA(83-05-6)

Safety Data

• Hazard Codes: Xn
• Statements: 20/21/22-40
• Safety Statements: 7-22-36-45
• WGK Germany: 3
• RTECS: AF5475000
• HazardClass: IRRITANT
• Hazardous Substances Data: 83-05-6(Hazardous Substances Data)

Usage

Definition

ChEBI: A organochlorine compound comprising acetic acid having two 4-chlorophenyl substituents attached at the 2-position.

Safety Profile

Moderately toxic by ingestion. Anexperimental teratogen. Other experimental reproductiveeffects. Mutation data reported. When heated todecomposition it emits toxic fumes of Cl-.

InChI:InChI=1/C14H10Cl2O2/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13H,(H,17,18)

Upstream product

• 72-55-9 1,1-bis(4-chlorophenyl)-2,2-dichloroethylene 
• 141-52-6 sodium ethanolate 
• 101671-01-6 1-nitro-2-(4-chlorophenyl)ethylene 
• 16825-76-6 1-iodyl-4-chlorobenzene 
• 50-29-3 p,p'-DDT 
• 7440-44-0 pyrographite 
• 34220-01-4 di-(4-chlorophenyl)iodonium chloride 
• 637-87-6 1-Chloro-4-iodobenzene 
• 39179-73-2 C₂₇H₂₀Cl₂ 
• 6306-46-3 1-[bromo(4-chlorophenyl)methyl]-4-chlorobenzene 
• 90-97-1 4,4'-dichlorobenzophenone 
• 108-90-7 chlorobenzene 
• 361-07-9 1,1,1-trifluoro-2,2-bis(p-chlorophenyl)ethane 
• 64-19-7 acetic acid 

Downstream Products

• 5359-38-6 methyl 2,2-bis(4-chlorophenyl) acetate 
• 30738-51-3 ethyl 2,2-bis(4-chlorophenyl)acetate 
• 101-76-8 4,4'-dichlorodiphenylmethane 
• 2642-82-2 2,2-bis(p-chlorophenyl)ethanol 
• 68668-89-3 2,2-bis(4-chlorophenyl)acetyl chloride 
• 52234-91-0 2,2-bis-(4-chloro-phenyl)acetamide 
• 20968-04-1 2,2’-bis(4-(chloro)phenyl)acetonitrile 
• 103037-17-8 tetrakis-(4-chloro-phenyl)-succinonitrile 
• 101876-76-0 [2,2-bis-(4-chloro-phenyl)-ethyl]-carbamic acid ethyl ester 
• 186346-56-5 2,2-Bis(4-chlorophenyl)-N-[3-(4-cyano-4-{2-methylphenyl}piperidin-1-yl)propyl]acetamide 
• 1208553-14-3 C₁₇H₁₂Cl₂N₂OS 
• 22731-54-0 2,2-bis(4-chlorophenyl)-N-(p-tolyl)ethen-1-imine 

Relevant articles and documents

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Rh-Catalyzed annulations of: N -methoxybenzamides with ketenimines: Synthesis of 3-aminoisoindolinones and 3-diarylmethyleneisoindolinones with strong aggregation induced emission properties

Rhodium-catalyzed C-H activation/annulation reactions of ketenimines with N-methoxybenzamides furnished 3-aminoisoindolin-1-ones and 3-(diarylmethylene)isoindolin-1-ones. The synthesized 3-(diarylmethylene)isoindolin-1-ones exhibited aggregation induced emissions in aqueous tetrahydrofuran solution and strong green-yellow emissions in solids.

The first synthetic agonists of FFA2: Discovery and SAR of phenylacetamides as allosteric modulators

Free fatty acid receptor 2 (FFA2) is a G-protein coupled receptor for which only short-chain fatty acids (SCFAs) have been reported as endogenous ligands. We describe the discovery and optimization of phenylacetamides as allosteric agonists of FFA2. These novel ligands can suppress adipocyte lipolysis in vitro and reduce plasma FFA levels in vivo, suggesting that these allosteric modulators can serve as pharmacological tools for exploring the potential function of FFA2 in various disease conditions.