4-(2-phenylethynyl)phthalic Acid

Base Information

• Chemical Name: 4-(2-phenylethynyl)phthalic Acid
• CAS No.: 219537-88-9
• Molecular Formula: C16H10O4
• Molecular Weight: 266.24800
• Hs Code.: 29173990
• European Community (EC) Number: 606-865-6
• DSSTox Substance ID: DTXSID00469390
• Nikkaji Number: J2.383.266F
• Wikidata: Q82297080
• Mol file: 219537-88-9.mol

Synonyms:219537-88-9;4-(2-phenylethynyl)phthalic Acid;4-PHENYLETHYNYLPHTHALIC ACID;4-(2-PHENYLETHYNYL)BENZENE-1,2-DICARBOXYLIC ACID;4-(Phenylethynyl)phthalic acid;4-(Phenylethynyl)phthalicacid;SCHEMBL542005;DTXSID00469390;4-(2-Phenylethynyl)-1,2-benzenedicarboxylic acid

Chemical Property of 4-(2-phenylethynyl)phthalic Acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 503.441oC at 760 mmHg
• Flash Point: 272.364oC
• PSA: 74.60000
• Density: 1.421g/cm3
• LogP: 2.48280
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 266.05790880
• Heavy Atom Count: 20
• Complexity: 436

Purity/Quality:

99% ^*data from raw suppliers

4-(Phenylethynyl)phthalicacid 97% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C#CC2=CC(=C(C=C2)C(=O)O)C(=O)O