3-[(4-Chlorobenzyl)oxy]-2-thiophenecarboxylic acid

Base Information

• Chemical Name: 3-[(4-Chlorobenzyl)oxy]-2-thiophenecarboxylic acid
• CAS No.: 339009-58-4
• Molecular Formula: C₁₂H₉ClO₃S
• Molecular Weight: 268.721
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID80377368
• Wikidata: Q82166566
• Mol file: 339009-58-4.mol

Synonyms:339009-58-4;3-[(4-chlorobenzyl)oxy]-2-thiophenecarboxylic acid;3-[(4-chlorophenyl)methoxy]thiophene-2-carboxylic Acid;3-((4-Chlorobenzyl)oxy)thiophene-2-carboxylic acid;3-(4-CHLORO-BENZYLOXY)-THIOPHENE-2-CARBOXYLIC ACID;Oprea1_709460;SCHEMBL6892098;DTXSID80377368;MFCD00173490;AKOS005071004;AB04350;FT-0644460;7F-042;3-((4-Chlorobenzyl)oxy)thiophene-2-carboxylicacid;3-(4-chlorobenzyloxy)thiophene-2-carboxylic acid;A821990;J-510377;3-[(4-chlorophenyl)methoxy]-2-thiophenecarboxylic acid

Chemical Property of 3-[(4-Chlorobenzyl)oxy]-2-thiophenecarboxylic acid

Chemical Property:

• Vapor Pressure: 2.29E-08mmHg at 25°C
• Melting Point: 158-159°C
• Refractive Index: 1.638
• Boiling Point: 435.8°C at 760 mmHg
• PKA: 3.58±0.10(Predicted)
• Flash Point: 217.4°C
• PSA: 74.77000
• Density: 1.428g/cm³
• LogP: 3.67870
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 267.9960930
• Heavy Atom Count: 17
• Complexity: 267

Purity/Quality:

98%min ^*data from raw suppliers

3-[(4-Chlorobenzyl)oxy]-2-thiophenecarboxylic acid >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1COC2=C(SC=C2)C(=O)O)Cl