2-Phosphonobutyric acid

Base Information

• Chemical Name: 2-Phosphonobutyric acid
• CAS No.: 4378-40-9
• Molecular Formula: C4H6O5P-3
• Molecular Weight: 168.085
• DSSTox Substance ID: DTXSID50400495
• Mol file: 4378-40-9.mol

Synonyms:2-PHOSPHONOBUTYRIC ACID;2-phosphonobutanoic Acid;4378-40-9;phosphonobutyric acid;Butanoic acid, 2-phosphono-;SCHEMBL1960686;DTXSID50400495;MFCD00041416;AKOS017343178;CS-0132311;FT-0613353

Chemical Property of 2-Phosphonobutyric acid

Chemical Property:

• Vapor Pressure: 2.58E-08mmHg at 25°C
• Melting Point: 123-127oC
• Boiling Point: 422.3°Cat760mmHg
• Flash Point: 209.2°C
• PSA: 104.64000
• Density: 1.546g/cm³
• LogP: 0.02730
• XLogP3: -1.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 168.01876038
• Heavy Atom Count: 10
• Complexity: 171

Purity/Quality:

98%Min ^*data from raw suppliers

2-PHOSPHONOBUTYRIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C(=O)O)P(=O)(O)O