3-(5-Formyl-thiophen-2-yl)-benzoic acid

Base Information

• Chemical Name: 3-(5-Formyl-thiophen-2-yl)-benzoic acid
• CAS No.: 606970-74-5
• Molecular Formula: C12H8O3S
• Molecular Weight: 232.26
• Hs Code.: 2934999090
• European Community (EC) Number: 804-080-5
• DSSTox Substance ID: DTXSID40405454
• Nikkaji Number: J2.207.325G
• Mol file: 606970-74-5.mol

Synonyms:3-(5-formylthiophen-2-yl)benzoic Acid;606970-74-5;3-(5-Formyl-thiophen-2-yl)-benzoic acid;3-(5-formyl-2-thienyl)benzoic acid;MFCD06740280;SCHEMBL2557368;DTXSID40405454;AKOS004113956;AS-2084;3-(5-Formyl-thiophen-2-yl)-benzoicacid;SY320418;3-(5-Formyl-2-thienyl)benzoic acid, 97%;BB 0222863;CS-0246555;EN300-332995;A918569;3-(5-formyl-thiophen-2-yl)-benzoic acid, AldrichCPR;Z2044743410

Chemical Property of 3-(5-Formyl-thiophen-2-yl)-benzoic acid

Chemical Property:

• Melting Point: 251-257°C
• Boiling Point: 476.4±40.0 °C(Predicted)
• PKA: 4.02±0.10(Predicted)
• PSA: 82.61000
• Density: 1.379±0.06 g/cm3(Predicted)
• LogP: 2.92580
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 232.01941529
• Heavy Atom Count: 16
• Complexity: 279

Purity/Quality:

97% ^*data from raw suppliers

3-(5-Formyl-2-thienyl)benzoic acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C(=O)O)C2=CC=C(S2)C=O
• Uses: 3-(5-Formyl-2-thienyl)benzoic Acid is a useful intermediate in organic synthesis.