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

Description

4,4'-DDA, also known as bis(4-chlorophenyl)acetic acid, is an organochlorine compound that consists of acetic acid with two 4-chlorophenyl substituents attached at the 2-position. It is a synthetic chemical compound with potential applications in various industries.

Uses

Used in Pharmaceutical Industry:
4,4'-DDA is used as a chemical intermediate for the synthesis of various pharmaceutical compounds, including herbicides and other agrochemicals. Its unique structure allows it to be a key component in the development of new drugs and chemical products.
Used in Chemical Synthesis:
In the field of chemical synthesis, 4,4'-DDA serves as a building block for the creation of more complex organic molecules. Its reactivity and functional groups make it a valuable precursor in the synthesis of various organic compounds, contributing to the advancement of chemical research and development.
Used in Research and Development:
4,4'-DDA is utilized in research and development settings to study the properties and behavior of organochlorine compounds. Its unique structure and reactivity make it an interesting subject for scientific investigations, potentially leading to new discoveries and applications in various fields.

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

• 50-29-3 p,p'-DDT 
• 72-55-9 1,1-bis(4-chlorophenyl)-2,2-dichloroethylene 
• 141-52-6 sodium ethanolate 
• 39502-40-4 2,2-bis-(4-chloro-phenyl)-acetohydroximoyl chloride 
• 35462-28-3 4,4'-dichloro-benzilic acid anilide 
• 7138-34-3 p-chloromandelic acid 
• 108-90-7 chlorobenzene 
• 298-12-4 Glyoxilic acid 
• 39179-78-7 C₂₇H₁₉BrCl₂ 
• 94377-74-9 Bis-<4-chlor-phenyl>-malonsaeure-diaethylester 
• 64-18-6 formic acid 
• 90-97-1 4,4'-dichlorobenzophenone 
• 72-54-8 1,1-Dichloro-2,2-bis(p-chlorophenyl)ethane 
• 111-46-6 diethylene glycol 

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 
• 114787-94-9 (S)-1-Benzyl-5-[2,2-bis-(4-chloro-phenyl)-acetyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid methyl ester 
• 122020-53-5 N-Butyl-2,2-bis-(4-chloro-phenyl)-acetamide 
• 25637-60-9 Bis-p-chlorphenyl-N-methylacetanilid 
• 33406-61-0 bis(4-chloro-3,5-dinitrophenyl)methanone 
• 118-97-8 4-chloro-3,5-dinitrobenzoic acid 
• 90-98-2 4,4'-Dichlorobenzophenone 

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.