(naphthalen-1-yloxy)phosphonic acid potassium

• ChemBase ID: 155252
• Molecular Formular: C10H9KO4P
• Molecular Mass: 263.248121
• Monoisotopic Mass: 262.98755208
• SMILES: c1ccc2c(c1)cccc2OP(=O)(O)O.[K]
• Canonical SMILES: OP(=O)(Oc1cccc2c1cccc2)O.[K]
• InChI: InChI=1S/C10H9O4P.K/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10;/h1-7H,(H2,11,12,13)
• InChIKey: NFAYDMOGJKWSMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (naphthalen-1-yloxy)phosphonic acid potassium
• IUPAC Traditional name: naphthalen-1-yloxyphosphonic acid potassium
• Synonyms: α-Naphthyl acid phosphate monopotassium salt; 1-Naphthyl phosphate potassium salt; 1-萘基磷酸酯 钾盐

Database IDs

• CAS Number: 100929-85-9
• MDL Number: MFCD00069516
• PubChem SID: 24897808; 162249390
• PubChem CID: 16219776

CALCULATED PROPERTIES

• Acid pKa: 1.7687037
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.3771822
• LogD (pH = 7.4): -1.1169077
• Log P: 2.0052922
• Molar Refractivity: 55.362 cm^3
• Polarizability: 22.66778 Å^3
• Polar Surface Area: 66.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble50 mg/mL
• Apperance: white to faint yellow powder

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: -20°C

Product Information

• Linear Formula: C10H8O4PK

DETAILS

Sigma Aldrich - N7125

Biochem/physiol Actions
Non-specific phosphatase inhibitor. Inhibits acid, alkaline and protein phosphatases.