95-79-4

Basic information

• Product Name: 95-79-4
• Synonyms: Fast Red KBBase (6CI);o-Toluidine, 5-chloro- (8CI);2-Amino-4-chlorotoluene;2-Methyl-5-chloroaniline;3-Chloro-6-methylaniline;4-Chloro-2-aminotoluene;5-Chloro-2-methylaniline;5-Chloro-2-methylbenzenamine;5-Chloro-2-methylphenylamine;5-Chloro-2-toluidine;5-Chloro-o-toluidine;AccoFast Red KB base;Ansibase Red KB;Azoene Fast Red KB base;Fast Red KB amine;Fast Red KB salt;Fast Red KB salt Supra;Fast Red KB-T Base;Fast Red KBSsalt;Genazo Red KB soln;Hiltonil Fast Red KB base;Metrogen Red Former KBsoln;NSC 7094;Naphthosol Fast Red KB base;Pharmazoid Red KB;Red KB base;Spectrolene Red KB;Stable Red KB base
• CAS NO: 95-79-4
• Molecular Formula: C₇H₈ClN
• Molecular Weight: 141.61
• EINECS: 202-452-6
• Mol File: 95-79-4.mol
• Article Data: 13

Chemical Properties

• Melting Point: 22℃
• Boiling Point: 237 °C at 760 mmHg
• Flash Point: 160 °C
• Appearance: clear yellow to light brown liquid after melting
• Density: 1.18 g/cm³
• Vapor Pressure: 0.0459mmHg at 25°C
• Refractive Index: 1.585
• Water Solubility: < 1 g/L (22℃)
• CAS DataBase Reference: 95-79-4(CAS DataBase Reference)
• NIST Chemistry Reference: 95-79-4(95-79-4)
• EPA Substance Registry System: 95-79-4(95-79-4)

Safety Data

• Hazard Codes: Xn:Harmful
• Statements: R22:; R36/37/38:; R40:
• Safety Statements: S26:; S36/37/39:; S45:
• Hazardous Substances Data: 95-79-4(Hazardous Substances Data)

Usage

General Description

The chemical compound with the CAS number 95-79-4 is called 1,3-Dichloroacetone. It is an organic compound with the molecular formula C3H4Cl2O. 1,3-Dichloroacetone is a colorless liquid with a pungent odor and is highly reactive. It is used as a chemical intermediate in the production of pharmaceuticals and other organic compounds. 95-79-4 is also used in research as a reagent and in the synthesis of various organic compounds. However, it is important to handle 1,3-Dichloroacetone with caution as it is toxic and can cause irritation to the skin, eyes, and respiratory system.

InChI:InChI=1/C7H8ClN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3

Upstream product

• 95-53-4 o-toluidine 
• 2387-08-8 4,5-or4,6-dichloro-2-amino-toluene 
• 119-32-4 4-Methyl-3-nitroanilin 
• 106-43-4 para-chlorotoluene 
• 7647-01-0 hydrogenchloride 
• 611-22-3 N-(o-tolyl)hydroxylamine 
• 89-59-8 4-chloro-2-nitrotoluene 
• 141-52-6 sodium ethanolate 
• 71-43-2 benzene 
• 67-56-1 methanol 

Downstream Products

• 85817-60-3 PCM-0102354 
• 49872-65-3 (5-Chlor-2-methyl-phenyl)-biguanid 
• 57023-60-6 2-(5-chloro-2-methylphenyl)-1H-isoindole-1,3(2H)-dione 
• 881848-78-8 2-chloro-5,N-dimethyl-aniline 
• 54965-12-7 N,N'-bis-(5-chloro-2-methyl-phenyl)-urea 
• 516490-58-7 5-chloro-N-ethyl-2-methylaniline 
• 19241-36-2 5-chloro-2-methylphenylisothiocyanate 
• 60710-80-7 5-cyano-2-methylaniline 
• 3832-78-8 (5-chloro-2-methyl-phenyl)-carbamic acid-(2-fluoro-ethyl ester) 
• 104295-91-2 (5-chloro-2-methyl-phenyl)-carbamic acid-(4-chloro-but-2-ynyl ester) 
• 13710-20-8 2-(5-chloro-2-methylanilino)benzoic acid 

Relevant articles and documents

Green preparation method of palatinib hydrochloride (by machine translation)

The invention belongs to the technical field of chemical synthesis of medicines, and belongs to the technical field of pharmaceutical chemistry. The invention particularly relates to a green preparation method. The o-methyl aniline and N - chlorosuccinimide are chlorinated to obtain 2 - methyl -5 - chloro- aniline; the 6 - chlorine - 222H-indole hydrochloride is obtained by reacting with the nitrous acid compound; N-methyl -6 -chloro - 222H-indole; under the participation of dimethyl sulfoxide, 3 - 2-dimethyl 3 - chlorine -6 - 222H-indazole; and the like. A reaction with 2 - chloro -4 - amino - pyrimidine and iodomethane gave N - (2 -chloropyrimidine -4 -yl) - N N-methyl -2, 3 -dimethyl - 222H-indazole -6 - amine; and finally, a pimatinib hydrochloride salt was obtained by reaction with 3 - sulfanilide -4 - methyl - aniline. The method is low in raw material price, simple to operate, low in operation risk, capable of avoiding waste acid generation, high in reaction yield, and high in purity. (by machine translation)

Pd-Pt/modified GO as an efficient and selective heterogeneous catalyst for the reduction of nitroaromatic compounds to amino aromatic compounds by the hydrogen source

In this work, different nitroaromatic compounds were successfully reduced to their corresponding aromatic amines with excellent conversion and selectivity in methanol at 50?°C by using Pd-Pt nanoparticles immobilized on the modified grapheme oxide (m-GO) and hydrogen as the reducing source. The catalytic efficiency of Pd and Pd-Pt loading on the modified GO was investigated for the reduction of various nitroaromatic compounds, and the Pd-Pt/m-GO system demonstrated the highest conversion and selectivity. The catalyst was characterized by different techniques including FT-IR, Raman, UV–Vis, XRD, BET, XPS, FESEM, EDS, and TEM. The metal nanoparticles with the size of less than 10?nm were uniformly distributed on the m-GO. The catalyst could be reused at least five times without losing activity, showing the stability of the catalyst structure. Finally, the efficiency of the prepared catalyst was compared with Pd-Pt/AC, and Pd-Pt/GO catalysts.

Conformations, equilibrium thermodynamics and rotational barriers of secondary thiobenzanilides

The article deals with conformational behaviour of 2-methoxy-2′-hydroxythiobenzanilides. The CS-NH group of these compounds preferentially adopts the Z-conformation. Entropy favours the Z-conformer over the E-conformer, whereas enthalpy slightly favours the E-conformer over the Z-conformer. The rotational barrier about the CS-NH bond was determined to be (81.5±0.4) kJ/mol. No significant rotational barrier was found on the Ar-CS and Ar-NH bonds. All experimental outcomes are compared with the results of quantum-chemical calculations.