3-Amino-4-chlorophenol

Base Information

• Chemical Name: 3-Amino-4-chlorophenol
• CAS No.: 16026-77-0
• Molecular Formula: C6ClH6NO
• Molecular Weight: 143.573
• Hs Code.: 2922299090
• European Community (EC) Number: 626-853-4
• DSSTox Substance ID: DTXSID80408020
• Nikkaji Number: J82.475E
• Wikidata: Q72434619
• ChEMBL ID: CHEMBL2333959
• Mol file: 16026-77-0.mol

Synonyms:3-Amino-4-chlorophenol;16026-77-0;Phenol, 3-amino-4-chloro-;CHEMBL2333959;MFCD03427127;4-Chloro-3-aminophenol;2-chloro-5-hydroxyaniline;3-azanyl-4-chloranyl-phenol;SCHEMBL534830;3-Amino-4-chlorophenol, 97%;DTXSID80408020;FWUALUHYKLDYAN-UHFFFAOYSA-N;AMY28166;BDBM50428383;AKOS006338819;CS-W007877;AS-15685;SY008501;A3545;FT-0657868;EN300-189370;A810129;J-009705;Z1203578249;3-amino-4-chloro-phenol

Chemical Property of 3-Amino-4-chlorophenol

Chemical Property:

• Vapor Pressure: 0.00192mmHg at 25°C
• Melting Point: 151-154 °C(lit.)
• Refractive Index: 1.65
• Boiling Point: 282.8 °C at 760 mmHg
• PKA: 9.57±0.18(Predicted)
• Flash Point: 124.8 °C
• PSA: 46.25000
• Density: 1.406 g/cm³
• LogP: 2.20900
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Water Solubility.: Slightly soluble in water.
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 143.0137915
• Heavy Atom Count: 9
• Complexity: 99.1

Purity/Quality:

98% ^*data from raw suppliers

3-Amino-4-chlorophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1O)N)Cl
• Uses: 3-Amino-4-chlorophenol may be used in the synthesis of hydroxymethyl rhodamines (HMRs).

Technology Process of 3-Amino-4-chlorophenol

There total 5 articles about 3-Amino-4-chlorophenol 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%

3-nitro-4-chlorophenol (610-78-6) → 3-amino-4-chlorophenol (16026-77-0)

Guidance literature:

With iron(III)-acetylacetonate; hydrazine hydrate; In methanol; at 150 ℃; for 0.0666667h; chemoselective reaction; Microwave irradiation;

DOI:10.1021/jo400556g

Reference yield: 71.0%

3-nitro-4-chlorophenol (610-78-6) + tin(IV) chloride (7646-78-8) → 3-amino-4-chlorophenol (16026-77-0)

Guidance literature:

In ethanol;

Reference yield:

3-nitro-4-chlorophenol (610-78-6) → 4,6-dichloro-1-hydroxy-3-aminobenzene (39489-79-7) + 3-amino-4-chlorophenol (16026-77-0)

Guidance literature:

With hydrogenchloride; tin;

upstream raw materials:

3-nitro-4-chlorophenol

hydrogenchloride

tin(IV) chloride

Downstream raw materials:

4-[(2-chloro-5-hydroxyphenyl)amino]-5-iodonicotinonitrile

2-chloro-5-(5-fluoropyridin-3-yloxy)benzenamine

4-(2-Chloro-5-hydroxyanilino)-2-(2-pyridinyl)-6-trifluoromethylpyrimidine

4-(2-Chloro-5-hydroxyanilino)-2-(3-pyridinyl)-6-(trifluoromethyl)pyrimidine