5-(Phenylethynyl)furan-2-carboxylic acid

Base Information

• Chemical Name: 5-(Phenylethynyl)furan-2-carboxylic acid
• CAS No.: 130423-83-5
• Molecular Formula: C13H8O3
• Molecular Weight: 212.205
• Hs Code.: 2932190090
• European Community (EC) Number: 672-952-0
• DSSTox Substance ID: DTXSID80371866
• Nikkaji Number: J2.954.327E
• Wikidata: Q82159367
• Mol file: 130423-83-5.mol

Synonyms:130423-83-5;5-(phenylethynyl)furan-2-carboxylic acid;5-(2-phenylethynyl)furan-2-carboxylic acid;5-(2-PHENYLETH-1-YNYL)-2-FUROIC ACID;5-(phenylethynyl)-2-furoic acid;2-Furancarboxylic acid,5-(2-phenylethynyl)-;CBDivE_000662;Maybridge1_008982;MixCom3_000066;Oprea1_410863;SCHEMBL2109722;DTXSID80371866;HFYACYZCOUYIFR-UHFFFAOYSA-N;MFCD00541949;STK500818;AKOS000314882;PS-3191;SB61543;5-(2-Phenyleth-1-ynyl-2-furoic acid;5-phenylethynyl-furan 2 carboxylic acid;CS-0321055;FT-0619597;5-PHENYLETHYNYLFURAN-2-CARBOXYLIC ACID;W-205327

Chemical Property of 5-(Phenylethynyl)furan-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.72E-07mmHg at 25°C
• Melting Point: 212 °C
• Refractive Index: 1.64
• Boiling Point: 411 °C at 760 mmHg
• PKA: 2.99±0.10(Predicted)
• Flash Point: 202.4 °C
• PSA: 50.44000
• Density: 1.33 g/cm³
• LogP: 2.37760
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 212.047344113
• Heavy Atom Count: 16
• Complexity: 317

Purity/Quality:

98%min ^*data from raw suppliers

5-(Phenylethynyl)-2-furoicAcid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C#CC2=CC=C(O2)C(=O)O