3,5-Dichloroaniline

Base Information

• Chemical Name: 3,5-Dichloroaniline
• CAS No.: 626-43-7
• Molecular Formula: C6H5Cl2N
• Molecular Weight: 162.018
• Hs Code.: 29214210
• European Community (EC) Number: 210-948-9
• UNII: OZ75ZM1S3G
• DSSTox Substance ID: DTXSID7030307
• Nikkaji Number: J43.173G
• Wikidata: Q23034827
• Metabolomics Workbench ID: 53727
• ChEMBL ID: CHEMBL1451208
• Mol file: 626-43-7.mol

Synonyms:3,5-dichloroaniline

Chemical Property of 3,5-Dichloroaniline

Chemical Property:

• Appearance/Colour: white to brown crystals
• Vapor Pressure: 0.0121mmHg at 25°C
• Melting Point: 49 ºC
• Refractive Index: 1.613
• Boiling Point: 260.6 ºC at 760 mmHg
• PKA: pK1:2.37(+1) (25°C)
• Flash Point: 118.3 ºC
• PSA: 26.02000
• Density: 1.401 g/cm³
• LogP: 3.15680
• Storage Temp.: 0-6°C
• Solubility.: 0.78g/l
• Water Solubility.: 0.6 g/L (26 ºC)
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 160.9799046
• Heavy Atom Count: 9
• Complexity: 87.1

Purity/Quality:

99% ^*data from raw suppliers

3,5-Dichlorobenzenamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,N,Xi
• Hazard Codes: T,N,Xi
• Statements: 23/24/25-33-50/53
• Safety Statements: 28-36/37-45-60-61-28A

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aromatic
• Canonical SMILES: C1=C(C=C(C=C1Cl)Cl)N
• Uses: Dichlorobenzenamine is used in the synthesis of effective inhibitors of plant δ1-pyrroline-4-carboxylate reductase. Also used in the preparation of anti-tumor agents based upon diaryl urea derivatives.

Technology Process of 3,5-Dichloroaniline

There total 52 articles about 3,5-Dichloroaniline 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: 100.0%

3,5-dichlorophenylhydrazine (39943-56-1) → 3,5-Dichloroaniline (626-43-7)

Guidance literature:

aluminum nickel; In methanol; water;

Reference yield: 100.0%

2,3,4,5-tetrachloroaniline (634-83-3) → 3,5-Dichloroaniline (626-43-7)

Guidance literature:

With stannous chloride; In aniline;

Reference yield: 100.0%

palladium on active charcoal + aluminium bromide (AlBr3) + 3,4,5-trichloroaniline (634-91-3) + 1,2,4-Trichlorobenzene (120-82-1,63697-18-7) → 3,5-Dichloroaniline (626-43-7)

Guidance literature:

With hydrogen;

upstream raw materials:

2,4-dichloronitrobenzene

1,3,5-trichlorobenzene

3,5-dichloro-1-nitrobenzene

3,5-dichlorobenzamide

Downstream raw materials:

2-chloro-N-(3,5-dichlorophenyl)acetamide

S⁽⁰¹⁴⁾J₀₀₆₆₇₆-4

5,7-Dichloroquinoline

(1-Benzotriazol-1-yl-butyl)-(3,5-dichloro-phenyl)-amine

Refernces

• 1、 Mercadier, Christine,Vega, Danielle,Bastide, Jean. "Chemical and Biological Transformation of the Fungicide Vinclozolin". . p. 3817 - 3822. Retrieved 1998.
• 2、 Mkrtchyan, Satenik,Iaroshenko, Viktor O.. "Mechanochemical synthesis of aromatic sulfonamides". supporting information. p. 11029 - 11032. Retrieved 2021/11/03.
• 3、 Duran, Serdar,Korkmaz, Adem. "High yielding electrophilic amination with lower order and?higher order organocuprates: Application of acetone O-(4-Chlorophenylsulfonyl)oxime in the construction of the C?N bond at room temperature". . p. 2077 - 2087. Retrieved 2021/05/27.