4-Chloro-3-ethylphenol

Base Information

• Chemical Name: 4-Chloro-3-ethylphenol
• CAS No.: 14143-32-9
• Molecular Formula: C8H9ClO
• Molecular Weight: 156.612
• Hs Code.: 29071990
• European Community (EC) Number: 237-991-6
• UNII: 45CQZ6J83A
• DSSTox Substance ID: DTXSID90161730
• Nikkaji Number: J60.951J
• Wikidata: Q72450213
• ChEMBL ID: CHEMBL2323547
• Mol file: 14143-32-9.mol

Synonyms:4-chloro-3-ethyl-phenol;4-chloro-3-ethylphenol

Chemical Property of 4-Chloro-3-ethylphenol

Chemical Property:

• Appearance/Colour: Light yellow to off-white solid
• Vapor Pressure: 0.0157mmHg at 25°C
• Melting Point: 45-50 °C(lit.)
• Refractive Index: 1.555
• Boiling Point: 248.1 °C at 760 mmHg
• PKA: 9.62±0.18(Predicted)
• Flash Point: 103.9 °C
• PSA: 20.23000
• Density: 1.18 g/cm³
• LogP: 2.60800
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 156.0341926
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

99% ^*data from raw suppliers

4-Chloro-3-ethylphenol ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC1=C(C=CC(=C1)O)Cl
• Uses: 4-Chloro-3-ethylphenol is a ryanodine receptor antagonist and is commonly used as research tool and diagnostic reagent for malignant hyperthermia.

Technology Process of 4-Chloro-3-ethylphenol

There total 2 articles about 4-Chloro-3-ethylphenol 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-3-isopropyl-phenol (14200-19-2) → 2,4-dichloro-3-isopropyl-6-nitrophenol (103145-11-5) + 4-chloro-3-ethylphenol (14143-32-9)

Guidance literature:

Reference yield:

→ 4-chloro-3-ethylphenol (14143-32-9)

Guidance literature:

2-Ethylphenol, Schwefelsaeuredichlorid;

Reference yield: 96.0%

trifluoromethylsulfonic anhydride (358-23-6) + 4-chloro-3-ethylphenol (14143-32-9) → 4-chloro-3-ethyl-phenyl trifluoromethanesulfonate

Guidance literature:

With pyridine; In dichloromethane; at 0 - 20 ℃; for 16h; Inert atmosphere;

DOI:10.1002/anie.202005891

upstream raw materials:

4-chloro-3-isopropyl-phenol

Downstream raw materials:

4-allyloxy-1-chloro-2-ethyl-benzene

1-chloro-2-ethyl-4-(3-nitrophenoxy)benzene

5-(4-chloro-3-ethyl-phenoxy)-2-[3-(1,1,2,2-tetrafluoro-ethoxy)-phenyl]-quinoline

3-(4-chloro-3-ethylphenoxy)aniline

Refernces