(decyloxy)phosphonous acid

• ChemBase ID: 302265
• Molecular Formular: C10H23O3P
• Molecular Mass: 222.261581
• Monoisotopic Mass: 222.13848123
• SMILES: CCCCCCCCCCOP(O)O
• Canonical SMILES: CCCCCCCCCCOP(O)O
• InChI: InChI=1S/C10H23O3P/c1-2-3-4-5-6-7-8-9-10-13-14(11)12/h11-12H,2-10H2,1H3
• InChIKey: PYFRLDVYGBCYLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (decyloxy)phosphonous acid
• IUPAC Traditional name: decyloxyphosphonous acid
• Synonyms: 1-Decanephosphonic acid; 1-Decylphosphonic acid; 1-癸基磷酸

Database IDs

• CAS Number: 6874-60-8
• EC Number: 229-975-2
• MDL Number: MFCD00015830
• Beilstein Number: 1771572

CALCULATED PROPERTIES

• Acid pKa: 16.254675
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.0353
• LogD (pH = 7.4): 3.0353
• Log P: 3.0353
• Molar Refractivity: 60.4917 cm^3
• Polarizability: 23.81673 Å^3
• Polar Surface Area: 49.69 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 100-101°C

Safety Information

• RTECS: SZ7525000
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3261
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 98%