95-79-4

Base Information

• Chemical Name: 95-79-4
• CAS No.: 95-79-4
• Molecular Formula: C7H8ClN
• Molecular Weight: 141.6
• Hs Code.: 29214300
• European Community (EC) Number: 202-452-6
• NSC Number: 7094
• UNII: LW5K546DTR
• DSSTox Substance ID: DTXSID5020287
• Nikkaji Number: J54.427B
• Wikidata: Q27155930
• ChEMBL ID: CHEMBL553181
• Mol file: 95-79-4.mol

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;

Chemical Property of 95-79-4

Chemical Property:

• Appearance/Colour: clear yellow to light brown liquid after melting
• Vapor Pressure: 0.0459mmHg at 25°C
• Melting Point: 22 °C
• Refractive Index: n20/D 1.584(lit.)
• Boiling Point: 237 °C at 760 mmHg
• Flash Point: 160 °C
• PSA: 26.02000
• Density: 1.18 g/cm³
• LogP: 2.81180
• Water Solubility.: < 1 g/L (22℃)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 141.0345270
• Heavy Atom Count: 9
• Complexity: 94.9

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xn, T
• Hazard Codes: Xn:Harmful
• Statements: R22:; R36/37/38:; R40:
• Safety Statements: S26:; S36/37/39:; S45:

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Amines, Aromatic
• Canonical SMILES: CC1=C(C=C(C=C1)Cl)N

Technology Process of 95-79-4

There total 14 articles about 95-79-4 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: 99.0%

4-chloro-2-nitrotoluene (89-59-8) → 5-chloro-2-methyl-benzenamine (95-79-4)

Guidance literature:

With hydrogen; In 2-methyltetrahydrofuran; water; at 40 ℃; for 24h; under 15001.5 Torr; chemoselective reaction;

DOI:10.1039/c8cy01634h

Reference yield: 82.0%

4,5-or4,6-dichloro-2-amino-toluene (2387-08-8) → 5-chloro-2-methyl-benzenamine (95-79-4)

Guidance literature:

With hydrogenchloride; In water;

Reference yield:

hydrogenchloride (7647-01-0,15364-23-5) + N-(o-tolyl)hydroxylamine (611-22-3) → N,N'-Di-o-tolyl-diazene N-oxide (956-31-0,51284-68-5,116723-89-8) + 2-chloro-6-methylaniline (87-63-8) + 5-chloro-2-methyl-benzenamine (95-79-4) + 4-chloro-2-methylbenzeneamine (95-69-2)

Guidance literature:

upstream raw materials:

4-chloro-2-nitrotoluene

N-(o-tolyl)hydroxylamine

sodium ethanolate

benzene

Downstream raw materials:

N-(5-chloro-2-methylphenyl)-benzamide

N-(5-chloro-2-methylphenyl)acetamide

PCM-0102354

Isopropyl-N-(2-methyl-5-chlorphenyl)-carbamat

Refernces

• 1、 Salahshournia, Hossein,Ghiaci, Mehran. "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". . . Retrieved 2019/02/14.
• 2、 Sahoo, Basudev,Formenti, Dario,Topf, Christoph,Bachmann, Stephan,Scalone, Michelangelo,Junge, Kathrin,Beller, Matthias. "Biomass-Derived Catalysts for Selective Hydrogenation of Nitroarenes". . p. 3035 - 3039. Retrieved 2017/08/18.