5-Amino-4-chloro-2-methylphenol

Base Information

• Chemical Name: 5-Amino-4-chloro-2-methylphenol
• CAS No.: 110102-86-8
• Molecular Formula: C7H8ClNO
• Molecular Weight: 157.60
• Hs Code.: 2922299090
• UNII: 2NX60Y89QX
• DSSTox Substance ID: DTXSID00149145
• Nikkaji Number: J2.102.364G
• Wikidata: Q27255154
• Mol file: 110102-86-8.mol

Synonyms:5-AMINO-4-CHLORO-2-METHYLPHENOL;110102-86-8;5-amino-4-chloro-o-cresol;Phenol, 5-amino-4-chloro-2-methyl-;UNII-2NX60Y89QX;2-Methyl-4-chloro-5-aminophenol;2-Methyl-5-amino-4-chlorophenol;3-Amino-4-chloro-6-methylphenol;5-Amino-4-chloro-o-cresol [INCI];2NX60Y89QX;MFCD09744010;SCHEMBL111801;4-chloro-2-methyl-5-aminophenol;DTXSID00149145;WDQMXRWYXILWPT-UHFFFAOYSA-N;AKOS006331880;AM83130;AS-15896;SY007006;LS-193721;CS-0036985;FT-0692677;5-Amino-4-chloro-2-methylphenol, AldrichCPR;EN300-7239440;A802138;Q27255154

Chemical Property of 5-Amino-4-chloro-2-methylphenol

Chemical Property:

• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.63
• Boiling Point: 288.84 °C at 760 mmHg
• PKA: 9.94±0.23(Predicted)
• Flash Point: 128.486 °C
• PSA: 46.25000
• Density: 1.331 g/cm³
• LogP: 2.51740
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 157.0294416
• Heavy Atom Count: 10
• Complexity: 120

Purity/Quality:

97% ^*data from raw suppliers

5-Amino-4-chloro-2-methylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1O)N)Cl
• Uses: 5-Amino-4-chloro-2-methylphenol is a reagent used in the synthesis of biospecfic compounds which exhibits biological and spermicidal activity.

Technology Process of 5-Amino-4-chloro-2-methylphenol

There total 3 articles about 5-Amino-4-chloro-2-methylphenol 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: 49.0%

2-chloro-5-methoxy-4-methylaniline (133088-44-5) → 5-amino-4-chloro-2-methyl-phenol (110102-86-8)

Guidance literature:

With boron tribromide; In dichloromethane; at -78 - 20 ℃; Inert atmosphere;

DOI:10.1021/acs.orglett.7b02552

Reference yield:

4-amino-5-chloro-2-methoxybenzoic acid (7206-70-4) → 5-amino-4-chloro-2-methyl-phenol (110102-86-8)

Guidance literature:

Multi-step reaction with 2 steps

1: chlorobenzene / 21 h / 80 - 130 °C / Inert atmosphere

2: boron tribromide / dichloromethane / -78 - 20 °C / Inert atmosphere

With boron tribromide; In dichloromethane; chlorobenzene;

DOI:10.1021/acs.orglett.7b02552

Reference yield:

→ 5-amino-4-chloro-2-methyl-phenol (110102-86-8)

Guidance literature:

Katal. Red. v. 2-Chloro-5-hydroxy-4-nitrotoluol, Hydrazin unter Einfluss v. aktiv Kohle / FeCl3 * 6H2O bei 58 - 60grad in Isopropanol;

upstream raw materials:

2-chloro-5-methoxy-4-methylaniline

4-amino-5-chloro-2-methoxybenzoic acid