4-Phosphonobutyric acid

Base Information

• Chemical Name: 4-Phosphonobutyric acid
• CAS No.: 4378-43-2
• Molecular Formula: C4H9O5P
• Molecular Weight: 168.086
• Hs Code.: 2931900090
• European Community (EC) Number: 811-153-5
• DSSTox Substance ID: DTXSID70378723
• Nikkaji Number: J915.270I
• Wikidata: Q82168274
• Mol file: 4378-43-2.mol

Synonyms:4-phosphonobutyric acid;4-phosphonobutanoic Acid;4378-43-2;butanoic acid, 4-phosphono-;SCHEMBL307497;(3-Carboxypropyl)phosphonic Acid;DTXSID70378723;4-Phosphonobutyric Acid, >/=98%;MFCD00041414;AKOS017344779;CS-0210890;FT-0619417;P2349;T72478;EN300-7408374;A935536;Z1255431129

Chemical Property of 4-Phosphonobutyric acid

Chemical Property:

• Vapor Pressure: 6.17E-10mmHg at 25°C
• Melting Point: 127-129 °C
• Refractive Index: 1.5180 (estimate)
• Boiling Point: 465 °C at 760 mmHg
• PKA: 2.36±0.10(Predicted)
• Flash Point: 235 °C
• PSA: 104.64000
• Density: 1.551 g/cm³
• LogP: 0.02890
• Water Solubility.: 347.7g/L(20 oC)
• XLogP3: -1.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 168.01876038
• Heavy Atom Count: 10
• Complexity: 159

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Phosphonobutyric Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R34:Causes burns.
• Hazard Codes: R34:Causes burns.
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC(=O)O)CP(=O)(O)O