2,4,6-Trichloroaniline

Base Information

• Chemical Name: 2,4,6-Trichloroaniline
• CAS No.: 634-93-5
• Molecular Formula: C6H4Cl3N
• Molecular Weight: 196.463
• Hs Code.: 29214200
• European Community (EC) Number: 211-219-8
• NSC Number: 2114
• UN Number: 2811
• UNII: J7IC72N9B0
• DSSTox Substance ID: DTXSID6021379
• Nikkaji Number: J2.097D
• Wikipedia: 2,4,6-Trichloroaniline
• Wikidata: Q27281312
• ChEMBL ID: CHEMBL1894620
• Mol file: 634-93-5.mol

Synonyms:2,4,6-trichloraniline;2,4,6-trichloroaniline;2,4,6-trichloroaniline hydrochloride

Chemical Property of 2,4,6-Trichloroaniline

Chemical Property:

• Appearance/Colour: White Crystal
• Vapor Pressure: 0-0.631Pa at 25℃
• Melting Point: 75 °C
• Refractive Index: 1.6300 (estimate)
• Boiling Point: 258.4 °C at 760 mmHg
• PKA: 0.07±0.10(Predicted)
• Flash Point: 110.1 °C
• PSA: 26.02000
• Density: 1.54 g/cm³
• LogP: 3.81020
• Storage Temp.: Storage temperature: no restrictions.
• Solubility.: 0.039g/l slightly soluble
• Water Solubility.: <0.1 g/100 mL at 21.5℃
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 194.940932
• Heavy Atom Count: 10
• Complexity: 108
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

2,4,6-Trichloroaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T; N
• Hazard Codes: T,N
• 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)N)Cl)Cl
• Uses: 2,4,6-trichloroaniline is important as an intermediate in the manufacture of benzene derivatives, including 1,3,5-trichlorobenzene and is useful in the formation of fungicides, mono-azo dyestuffs, and the preparation of hexachlorodiphenyl urea.Tetrachloronitrobenzene was prepared from 2:4:6-trichloroaniline,which was converted by a Sandmeyer reaction into 1:2:3:5- tetrachlorobenzene.

Technology Process of 2,4,6-Trichloroaniline

There total 78 articles about 2,4,6-Trichloroaniline 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: 30.0%

aniline (62-53-3) → 2,4-Dichloroaniline (554-00-7,51908-09-9) + 4-chloro-aniline (106-47-8) + 2,4,6-trichloroaniline (634-93-5)

Guidance literature:

With hydrogenchloride; sodium chlorate; In tetrahydrofuran; water; at 20 ℃; for 20h;

DOI:10.5012/bkcs.2011.32.2.472

Reference yield: 3.0%

4-chloro-aniline (106-47-8) → 2,4-Dichloroaniline (554-00-7,51908-09-9) + 2,4,6-trichloroaniline (634-93-5)

Guidance literature:

With N-chlorotriethylammonium chloride; In trifluoroacetic acid; Ambient temperature;

Reference yield:

aniline (62-53-3) → 2,4,6-Trichlorophenol (88-06-2,67471-29-8) + 2,4,6-trichloroaniline (634-93-5)

Guidance literature:

With hydrogenchloride; chlorine;

DOI:10.1111/j.1745-6584.2001.tb00357.x

upstream raw materials:

2,4,6-trichloro-N-methylbenzenamine

2,4,6-tribromoaniline

N-(2,4,6-Trichlorophenyl)benzenesulfonamide

N,N-dichloro-aniline

Downstream raw materials:

furan-2-carboxylic acid-(2,4,6-trichloro-anilide)

1-(N-phthalimido)-2,4,6-trichlorobenzene

5-nitro-furan-2-carboxylic acid-(2,4,6-trichloro-anilide)

2,4,6-trichloro-diacetanilide

Refernces

• 1、 Dai, Yihu,Jiang, Chunyang,Xu, Min,Bian, Bo,Lu, Di,Yang, Yanhui. "Cobalt in N-doped carbon matrix catalyst for chemoselective hydrogenation of nitroarenes". . p. 158 - 166. Retrieved 2019/06/03.
• 2、 Jiang, Yuqin,Suo, Huajun,Zhang, Dandan,Li, Xiyong,Sun, Yamin,Ren, Baoqi,Zhang, Weiwei,Xu, Guiqing. "An efficient method for reduction of nitroaromatic compounds to the corresponding aromatic amines with NH2NH2·H2O catalysed by H2O2-treated activated carbon". . p. 509 - 512. Retrieved 2017/10/03.