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

Base Information

• Chemical Name: 4-Chloro-5-methylbenzene-1,2-diamine
• CAS No.: 63155-04-4
• Molecular Formula: C7H9ClN2
• Molecular Weight: 156.615
• Hs Code.: 2921590090
• European Community (EC) Number: 639-348-9
• DSSTox Substance ID: DTXSID20384253
• Nikkaji Number: J90.230F
• Wikidata: Q27452888
• ChEMBL ID: CHEMBL3237625
• Mol file: 63155-04-4.mol

Synonyms:4-chloro-5-methylbenzene-1,2-diamine;63155-04-4;4-Chloro-5-methyl-O-phenylenediamine;CHEMBL3237625;4-Chloro-5-methyl-benzene-1,2-diamine;4mrh;2CQ;(2-amino-4-chloro-5-methylphenyl)amine;SCHEMBL404439;DTXSID20384253;HOFKXNBVTNUDSH-UHFFFAOYSA-N;AMY28288;BBL009380;BDBM50008915;MFCD00221471;STL118124;2-Amino-4-chloro-5-methylphenylamine;AKOS000114358;PS-4709;SB75762;5-chloro-4-methyl-1,2-phenylenediamine;AC-26487;BP-10339;CS-0061246;FT-0618119;EN300-100540;A834245;4-Chloro-5-methylbenzene-1,2-diamine, AldrichCPR;Q27452888;Z1201619841

Chemical Property of 4-Chloro-5-methylbenzene-1,2-diamine

Chemical Property:

• Appearance/Colour: yellow solid
• Vapor Pressure: 0.000746mmHg at 25°C
• Melting Point: 137 °C
• Refractive Index: 1.647
• Boiling Point: 307 °C at 760 mmHg
• PKA: 3.65±0.10(Predicted)
• Flash Point: 139.4 °C
• PSA: 52.04000
• Density: 1.281 g/cm³
• LogP: 2.97520
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: Dichloroform, Ethyl Acetate, Methanol
• 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:

99%, ^*data from raw suppliers

4-Chloro-5-methyl-O-phenylenediamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
• 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(=C(C=C1Cl)N)N
• Uses: 4-Chloro-5-methyl-O-phenylenediamine (cas# 63155-04-4) is a compound useful in organic synthesis.

Technology Process of 4-Chloro-5-methylbenzene-1,2-diamine

There total 6 articles about 4-Chloro-5-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:

4-chloro-5-methyl-2-nitro-aniline (7149-73-7) → 4-chloro-5-methylbenzene-1,2-diamine (63155-04-4)

Guidance literature:

With ethanol; ammonium chloride; zinc;

Reference yield:

5-chloro-4-methyl-2-nitroaniline (7149-80-6) → 4-chloro-5-methylbenzene-1,2-diamine (63155-04-4)

Guidance literature:

With ethanol; platinum; Hydrogenation;

DOI:10.1021/ja01124a514

Reference yield:

2-chloro-4-nitrotoluene (121-86-8) → 4-chloro-5-methylbenzene-1,2-diamine (63155-04-4)

Guidance literature:

Multi-step reaction with 3 steps

1: HNO₃+H₂SO₄ / 40 - 45 °C / dann bei 90grad

2: alcohol; ammonia

3: tin (II)-chloride; alcohol

With ethanol; sulfuric acid; ammonia; nitric acid; tin(ll) chloride;

upstream raw materials:

4-chloro-5-methyl-2-nitro-aniline

5-chloro-4-methyl-2-nitroaniline

2-chloro-4-nitrotoluene

2-methylchlorobenzene

Downstream raw materials:

5-chloro-1,6-dimethylbenzimidazole

5-chloro-6-methyl-1(3)H-benzimidazole

6-chloro-7-methyl-quinoxaline

5⁽⁶⁾-chloro-6⁽⁵⁾-methyl-2-(3,4-dichloroanilino)-1H-benzimidazole hydrochloride

Refernces