2-Amino-4-chloro-5-nitrophenol

Base Information

• Chemical Name: 2-Amino-4-chloro-5-nitrophenol
• CAS No.: 6358-07-2
• Molecular Formula: C6H5ClN2O3
• Molecular Weight: 188.57
• Hs Code.: 29222990
• European Community (EC) Number: 228-760-0
• NSC Number: 7537
• UNII: S23ZR6J4GW
• DSSTox Substance ID: DTXSID5024471
• Nikkaji Number: J81.200E
• Wikidata: Q72434587
• ChEMBL ID: CHEMBL1588831
• Mol file: 6358-07-2.mol

Synonyms:2-Amino-4-chloro-5-nitrophenol;6358-07-2;Phenol, 2-amino-4-chloro-5-nitro-;2-amino-4-chloro-5-nitro-phenol;CCRIS 4577;DTXSID5024471;NSC 7537;EINECS 228-760-0;BRN 3268343;NSC7537;amino-4-chloro-5-nitrophenol;SCHEMBL303378;2-amino4-chloro-5-nitrophenol;DTXCID704471;CHEMBL1588831;5-Chloro-2-hydroxy-4-nitroaniline;AMY14268;NSC-7537;Tox21_200073;MFCD00010300;AKOS000120072;AC-8703;LS-1528;2-Amino-4-chloro-5-nitrophenol, 98%;NCGC00091280-01;NCGC00091280-02;NCGC00257627-01;AS-11969;CAS-6358-07-2;A1228;CS-0204252;FT-0618123;FT-0636112;EN300-20718;2-13-00-00196 (Beilstein Handbook Reference);A834422;W-104901;InChI=1/C6H5ClN2O3/c7-3-1-4(8)6(10)2-5(3)9(11)12/h1-2,10H,8H

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

Chemical Property:

• Appearance/Colour: orange powder
• Vapor Pressure: 4.72E-07mmHg at 25°C
• Melting Point: 225 °C(lit.)
• Refractive Index: 1.695
• Boiling Point: 402.4 °C at 760 mmHg
• PKA: 7.45±0.24(Predicted)
• Flash Point: 197.2 °C
• PSA: 92.07000
• Density: 1.655 g/cm³
• LogP: 2.64040
• Water Solubility.: <0.01 g/100 mL at 22℃
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 187.9988697
• Heavy Atom Count: 12
• Complexity: 184

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1Cl)[N+](=O)[O-])O)N

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

There total 5 articles about 2-Amino-4-chloro-5-nitrophenol 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:

5-chloro-2-methyl-6-nitrobenzoxazole (13452-16-9) → 2-amino-4-chloro-5-nitrophenol (6358-07-2)

Guidance literature:

With mineral acids;

Reference yield:

5-chloro-2-benzoxazolinone (95-25-0) → 2-amino-4-chloro-5-nitrophenol (6358-07-2)

Guidance literature:

beim Nitrieren und nachfolgenden Verseifen mit Calciumhydroxyd oder Soda;

Reference yield:

phosgene (75-44-5) + 2-hydroxy-5-chloro-aniline (95-85-2) → 2-amino-4-chloro-5-nitrophenol (6358-07-2)

Guidance literature:

bei dem Nitrieren des entstehenden 5-Chlor-benzoxazolon-⁽²⁾ und nachfolgende Verseifung mit Calciumhydroxyd oder Soda;

upstream raw materials:

5-chloro-2-methyl-6-nitrobenzoxazole

5-chloro-2-benzoxazolinone

phosgene

2-hydroxy-5-chloro-aniline

Downstream raw materials:

2-benzyloxy-5-chloro-4-nitroaniline

(2-amino-4-chloro-5-nitrophenol)pivalate

C₁₇H₁₃ClN₂O₃

6-nitro-5-chloro-2-(2-hydroxyphenyl)benzoxazole

Refernces