2-Cyano-5-methoxybenzoic acid

Base Information

• Chemical Name: 2-Cyano-5-methoxybenzoic acid
• CAS No.: 179028-65-0
• Molecular Formula: C9H7NO3
• Molecular Weight: 177.16
• Hs Code.: 2926909090
• European Community (EC) Number: 630-285-2
• DSSTox Substance ID: DTXSID40378977
• Wikidata: Q72458447
• Mol file: 179028-65-0.mol

Synonyms:2-cyano-5-methoxybenzoic acid;179028-65-0;Benzoic acid, 2-cyano-5-methoxy-;2-cyano-5-methoxy-benzoic Acid;2-Cyano-5-methoxybenzoicacid;cyano-5-methoxybenzoic acid;SCHEMBL4309752;DTXSID40378977;GIVYSLAWUDQJKC-UHFFFAOYSA-N;CCG-48441;MFCD00116264;AKOS015836113;PS-4137;AC-26033;FT-0612102;A20256;J-509197;SR-01000637980-1

Chemical Property of 2-Cyano-5-methoxybenzoic acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 218-220°C
• Refractive Index: 1.573
• Boiling Point: 397.177 °C at 760 mmHg
• Flash Point: 194.006 °C
• PSA: 70.32000
• Density: 1.32g/cm³
• LogP: 1.26508
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 177.042593085
• Heavy Atom Count: 13
• Complexity: 243

Purity/Quality:

98%min ^*data from raw suppliers

2-Cyano-5-methoxybenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C(C=C1)C#N)C(=O)O