634-91-3

Basic information

• Product Name: 3,4,5-TRICHLOROANILINE
• Synonyms: 3,4,5-Trichlorobenzenamine;Aniline, 3,4,5-trichloro-;3,4,5-TRICHLOROANILINE;3,4,5-TRICHLOROANILINE PESTANAL, 250 MG;3,4,5-Trichloroaniline ,98%;3,4,5-Trichloroaniline,97%;3,4,5-Trichloroaniline, 97% 1GR;NSC 115260
• CAS NO: 634-91-3
• Molecular Formula: C₆H₄Cl₃N
• Molecular Weight: 196.46
• EINECS: 211-218-2
• Product Categories: Amines;C2 to C6;Nitrogen Compounds
• Mol File: 634-91-3.mol
• Article Data: 10

Chemical Properties

• Melting Point: 97-99 °C(lit.)
• Boiling Point: 321.87°C (rough estimate)
• Flash Point: 144.2 ºC
• Appearance: beige crystalline powder
• Density: 1.540
• Vapor Pressure: 0.000456mmHg at 25°C
• Refractive Index: 1.5596 (estimate)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 1.85±0.10(Predicted)
• Water Solubility: Insoluble in water.
• BRN: 638880
• CAS DataBase Reference: 3,4,5-TRICHLOROANILINE(CAS DataBase Reference)
• NIST Chemistry Reference: 3,4,5-TRICHLOROANILINE(634-91-3)
• EPA Substance Registry System: 3,4,5-TRICHLOROANILINE(634-91-3)

Safety Data

• Hazard Codes: T,N
• Statements: 23/24/25-33-50/53
• Safety Statements: 28-36/37-45-60-61
• RIDADR: UN 2811 6.1/PG 2
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: II
• Hazardous Substances Data: 634-91-3(Hazardous Substances Data)

Usage

Description

3,4,5-Trichloroaniline is an organic compound with the chemical formula C6H5Cl3N, characterized by its beige crystalline powder appearance. It is a derivative of aniline, where three chlorine atoms are substituted at the 3rd, 4th, and 5th positions on the benzene ring. 3,4,5-Trichloroaniline is known for its potential applications in various fields due to its unique chemical properties.

Uses

Used in Pharmaceutical Industry:
3,4,5-Trichloroaniline is used as a building block for the synthesis of novel 3,4-dihydroisoquinoline compounds, which have been identified as potential antidepressant agents. Its role in the development of new pharmaceuticals highlights its importance in the field of medicinal chemistry.
Used in Chemical Research:
As a useful building block, 3,4,5-Trichloroaniline is also employed in chemical research for the preparation of various complex organic molecules. Its isomers, as referenced in the catalogue entries T774090, T774323, and T774025, further expand the scope of its applications in chemical synthesis.
Used in Antileukemic Drug Development:
3,4,5-Trichloroaniline forms triand tetrachloroaniline-Pt(II) complexes, which exhibit good antileukemic activity. This makes it a valuable compound in the development of new drugs for the treatment of leukemia, a type of cancer that affects the blood and bone marrow.

InChI:InChI=1/C6H4Cl3N/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2

Upstream product

• 21928-51-8 5-bromo-1,2,3-trichloro-benzene 
• 20098-48-0 3,4,5-trichloronitrobenzen 

Downstream Products

• 35804-51-4 1-(3,4,5-trichloro-phenyl)-biguanide; hydrochloride 
• 19010-53-8 N-(3,4-dichloro-phenyl)-N'-(3,4,5-trichloro-phenyl)-urea 
• 23742-32-7 Cyclopropan-3,4,5-trichlor-carboxanilid 
• 88486-08-2 p-Tolyl-(3,4,5-trichloro-phenylamino)-acetonitrile 
• 88486-07-1 (4-Chloro-phenyl)-(3,4,5-trichloro-phenylamino)-acetonitrile 
• 175411-15-1 6-[(3,4,5-Trichloro-phenylamino)-methyl]-pyrido[3,2-d]pyrimidine-2,4-diamine 
• 70362-50-4 3,4,4',5-tetrachlorobiphenyl 
• 70362-49-1 3,3',4,5-tetrachlorobiphenyl 
• 57465-28-8 33'44'5-pentachlorinated biphenyl 
• 76261-45-5 5,6,7-trichloro-benzo[b]thiophen-3-ol 
• 923025-05-2 4-bromo-N-(3,4,5-trichlorophenyl)butyramide 
• 126279-17-2 3-Oxo-2-(3,4,5-trichloro-phenyl)-2,3-dihydro-1H-isoindole-1-carbonitrile 
• 857785-99-0 3,4,5-trichloro-N-phenylaniline 
• 438249-38-8 4-(3,4,5-Trichloroanilino)-2-(3-pyridinyl)-6-trifluoromethylpyrimidine 

Relevant articles and documents

General and Chemoselective Copper Oxide Catalysts for Hydrogenation Reactions

Copper oxide catalysts have been prepared by pyrolysis of copper acetate on aluminum oxide. The material resulting from pyrolysis at 800 °C allows for catalytic hydrogenations at low temperature of a variety of unsaturated compounds such as quinolines, alkynes, ketones, imines, and polycyclic aromatic hydrocarbons as well as nitroarenes with good activity and selectivity.

AMINATION AND HYDROXYLATION OF ARYLMETAL COMPOUNDS

In one aspect, the present disclosure provides methods of preparing a primary or secondary amine and hydroxylated aromatic compounds. In some embodiments, the aromatic compound may be unsubstituted, substituted, or contain one or more heteroatoms within the rings of the aromatic compound. The methods described herein may be carried out without the need for transition metal catalysts or harsh reaction conditions.

Reduction of nitroarenes using CO and H2O in the presence of a nanostructured cobalt oxide/Nitrogen-Doped Graphene (NGr) catalyst

The most common route to anilines is based on the reduction of the corresponding nitroarenes. In general, hydrogen is preferred as reducing agent and numerous catalytic systems are known to achieve such transformations. Besides, the use of CO/H2O as hydrogen source offers interesting possibilities for reductions. Carbon monoxide is a cheap and abundant chemical used on industrial scale for a variety of transformations. Although the reduction of nitroarenes with CO/H2O is known in the presence of noble-metal catalysts, earth-abundant inexpensive catalysts showing high selectivity have not yet been developed. In this respect, herein we present the use of a heterogeneous cobalt oxide catalyst (Co3O4/NGr@C), which is modified by nitrogen-doped graphene layers. Using this non-noble metal catalyst nitroarenes are reduced in high yields and good chemoselectivities.