5-Chloro-3-methylbenzene-1,2-diamine

Base Information

• Chemical Name: 5-Chloro-3-methylbenzene-1,2-diamine
• CAS No.: 109671-52-5
• Molecular Formula: C7H9 Cl N2
• Molecular Weight: 156.615
• Hs Code.: 2921590090
• European Community (EC) Number: 878-073-0
• DSSTox Substance ID: DTXSID50363697
• Wikidata: Q82147444
• Mol file: 109671-52-5.mol

Synonyms:109671-52-5;5-chloro-3-methylbenzene-1,2-diamine;5-Chloro-3-methyl-1,2-phenylenediamine;2-amino-4-chloro-6-methylphenylamine;1,2-Benzenediamine, 5-chloro-3-methyl-;(2-amino-4-chloro-6-methylphenyl)amine;5-chloro-3-methyl-benzene-1,2-diamine;2,3-Diamino-5-chlorotoluene;SCHEMBL1196837;DTXSID50363697;MFCD03426174;STK502789;AKOS000321693;CCG-302300;SB76126;AS-48038;BB 0240511;EN300-204635;F17582;5-Chloro-3-methyl-1,2-phenylenediamine, AldrichCPR;F8885-0169

Chemical Property of 5-Chloro-3-methylbenzene-1,2-diamine

Chemical Property:

• Vapor Pressure: 0.000626mmHg at 25°C
• Refractive Index: 1.647
• Boiling Point: 309.8°Cat760mmHg
• Flash Point: 141.1°C
• PSA: 52.04000
• Density: 1.281g/cm³
• LogP: 2.97520
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 156.0454260
• Heavy Atom Count: 10
• Complexity: 118

Purity/Quality:

98%,99%, ^*data from raw suppliers

(2-Amino-4-chloro-6-methylphenyl)amineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22-36/37/38:
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38-36
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1N)N)Cl

Technology Process of 5-Chloro-3-methylbenzene-1,2-diamine

There total 2 articles about 5-Chloro-3-methylbenzene-1,2-diamine 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: 91.0%

4-chloro-2-methyl-6-nitrophenylamine (62790-50-5) → 2-amino-5-chloro-3-methylaniline (109671-52-5)

Guidance literature:

With hydrogen; nickel; In ethanol; for 1h; Ambient temperature;

Reference yield:

2-Methyl-6-nitroaniline (570-24-1) → 2-amino-5-chloro-3-methylaniline (109671-52-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 92 percent / N-chlorosuccinimide; AcOH

2: H₂ / Raney-Ni / ethanol

With N-chloro-succinimide; hydrogen; acetic acid; nickel; In ethanol;

DOI:10.2533/000942904777677533

Reference yield: 98.0%

formic acid (64-18-6) + 2-amino-5-chloro-3-methylaniline (109671-52-5) → 6-chloro-4-methylbenzimidazole (180508-09-2)

Guidance literature:

In water; for 6h; Heating;

DOI:10.1016/S0968-0896(99)00172-8

upstream raw materials:

4-chloro-2-methyl-6-nitrophenylamine

2-Methyl-6-nitroaniline

Downstream raw materials:

6-chloro-4-methylbenzimidazole

6-chloro-8-methylquinoxaline

6-chlorobenzimidazole-4-carboxylic acid

7-methyl-5-methylamino-4-nitro-2,1,3-benzoselenadiazole

Refernces

• 1、 Marterer, Wolfgang,Prikoszovich, Walter,Wiss, Jacques,Prashad, Mahavir. "The nitration of 8-methylquinoxalines in mixed acid". . p. 318 - 323. Retrieved 2013/09/06.