121-27-7

Basic information

• Product Name: 2-AMINO-4,4'-DICHLORODIPHENYL ETHER
• Synonyms: 5-chloro-2-(4-chlorophenoxy)-benzenamin;5-chloro-2-(4-chlorophenoxy)-Benzenamine;2-AMINO-4,4'-DICHLORODIPHENYL ETHER;5-CHLORO-2-(4-CHLOROPHENOXY)ANILINE;AURORA KA-6780;Benzenamine,5-chloro-2-(4-chlorophenoxy)-;5-Chloro-2-(4-Clorophenoxy)Aniline;C.I.Azoic Diazo Component 33
• CAS NO: 121-27-7
• Molecular Formula: C₁₂H₉Cl₂NO
• Molecular Weight: 254.11
• EINECS: 204-460-5
• Product Categories: Amines;Phenyls & Phenyl-Het;Phenyls & Phenyl-Het
• Mol File: 121-27-7.mol

Chemical Properties

• Melting Point: 61.0 to 65.0 °C
• Boiling Point: 234°C/27mmHg(lit.)
• Flash Point: 167.9 °C
• Appearance: /
• Density: 1.364 g/cm³
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• PKA: 2.99±0.10(Predicted)
• CAS DataBase Reference: 2-AMINO-4,4'-DICHLORODIPHENYL ETHER(CAS DataBase Reference)
• NIST Chemistry Reference: 2-AMINO-4,4'-DICHLORODIPHENYL ETHER(121-27-7)
• EPA Substance Registry System: 2-AMINO-4,4'-DICHLORODIPHENYL ETHER(121-27-7)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 121-27-7(Hazardous Substances Data)

Usage

Chemical Properties

Brown solid

Upstream product

• 135-12-6 4-chloro-1-(4-chlorophenoxy)-2-nitrobenzene 
• 64-19-7 acetic acid 
• 106-46-7 para-dichlorobenzene 
• 106-48-9 4-chloro-phenol 
• 89-61-2 2,5-dichloronitrobenzene 

Downstream Products

• 701949-31-7 acetic acid-[5-chloro-2-(4-chloro-phenoxy)-anilide] 
• 76838-37-4 1-Benzoyl-3-[5-chloro-2-(4-chloro-phenoxy)-phenyl]-thiourea 
• 16199-29-4 2-p-Chlorphenoxy-4',5-dichlorcarbanilid 
• 76839-17-3 [5-Chloro-2-(4-chloro-phenoxy)-phenyl]-thiourea 
• 76841-15-1 [5-Chloro-2-(4-chloro-phenoxy)-phenyl]-imidazolidin-2-ylidene-amine 
• 129643-72-7 1-(5-chloro-2-(4-chlorophenoxy)phenyl)ethanone 
• 76084-83-8 5'-chloro-2'-(p-chlorophenoxy)-isonicotinanilide 
• 59039-21-3 2,4,4'-Trichlorobiphenyl ether 
• 3380-34-5 triclosan 
• 16172-09-1 2-p-Chlorphenoxy-3',5-dichlorcarbanilid 
• 1286264-40-1 N²-[5-chloro-2-(4-chlorophenoxy)phenyl]-N²-{2-[2,3-dihydro-1H-inden-2-yl(ethyl)amino]-2-oxoethyl}-N¹-(2-pyrrolidin-1-ylethyl)glycinamide 
• 1286264-61-6 N²-{2-{[1-(tert-butoxycarbonyl)piperidin-4-yl](methyl)amino}-2-oxoethyl}-N²-[5-chloro-2-(4-chlorophenoxy)phenyl]-N¹-(2-pyrrolidin-1-ylethyl)glycinamide 

Relevant articles and documents

Preparation method of active bactericide 4,4'-dichloro-2-hydroxyl diphenyl ether

The invention discloses a preparation method of an active bactericide 4,4'-dichloro-2-hydroxyl diphenyl ether. The preparation method comprises the following steps: preparing phenol metal salts from p-chlorophenol under the effect of an alkali solution; carrying out condensation reactions, nitro reduction reactions, and diazotization hydrolysis reactions between phenol metal salts and 2,5-dichloronitrobenzene; extracting the reaction product by a solvent; and purifying the extract by vacuum distillation to obtain the high quality active bactericide. The operation is convenient, the production cost is low, and the product purity is high. The bactericide can effectively kill or inhibit gram positive bacteria and gram negative bacteria. The bactericide can be easily compounded with a negative ion surfactant, a nonionic surfactant, an amphoteric surfactant, and a positive ion surfactant.

Computational and Experimental Studies of Phthaloyl Peroxide-Mediated Hydroxylation of Arenes Yield a More Reactive Derivative, 4,5-Dichlorophthaloyl Peroxide

The oxidation of arenes by the reagent phthaloyl peroxide provides a new method for the synthesis of phenols. A new, more reactive arene oxidizing reagent, 4,5-dichlorophthaloyl peroxide, computationally predicted and experimentally determined to possess enhanced reactivity, has expanded the scope of the reaction while maintaining a high level of tolerance for diverse functional groups. The reaction proceeds through a novel "reverse-rebound" mechanism with diradical intermediates. Mechanistic insight was achieved through isolation and characterization of minor byproducts, determination of linear free energy correlations, and computational analysis of substituent effects of arenes, each of which provided additional support for the reaction proceeding through the diradical pathway.

Discovery and structural analyses of S-adenosyl-l-homocysteine hydrolase inhibitors based on non-adenosine analogs

Optimization of a new series of S-adenosyl-l-homocysteine hydrolase (AdoHcyase) inhibitors based on non-adenosine analogs led to very potent compounds 14n, 18a, and 18b with IC50 values of 13 ± 3, 5.0 ± 2.0, and 8.5 ± 3.1 nM, respectively. An X-ray crystal structure of AdoHcyase with NAD+ and 18a showed a novel open form co-crystal structure. 18a in the co-crystals formed intramolecular eight membered ring hydrogen bond formations. A single crystal X-ray structure of 14n also showed an intramolecular eight-membered ring hydrogen bond interaction.

Discovery of S-adenosyl-l-homocysteine hydrolase inhibitors based on non-adenosine analogs

High throughput screening using Automated Ligand Identification System (ALIS) resulted in the discovery of a new series of S-adenosyl-l-homocysteine hydrolase inhibitors based on non-adenosine analogs. The optimization campaign led to very potent and competitive compound 39 with a Ki value of 1.5 nM. Compound 39 could be a promising lead compound for research to reduce elevated homocysteine levels.

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