sodium hydrate naphthalen-1-yl hydrogen phosphate

• ChemBase ID: 134401
• Molecular Formular: C10H10NaO5P
• Molecular Mass: 264.146931
• Monoisotopic Mass: 264.01635433
• SMILES: c1ccc2c(c1)cccc2OP(=O)(O)[O-].O.[Na+]
• Canonical SMILES: [O-]P(=O)(Oc1cccc2c1cccc2)O.O.[Na+]
• InChI: InChI=1S/C10H9O4P.Na.H2O/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10;;/h1-7H,(H2,11,12,13);;1H2/q;+1;/p-1
• InChIKey: NSWUDGODQXQNON-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium hydrate naphthalen-1-yl hydrogen phosphate
• IUPAC Traditional name: sodium hydrate naphthalen-1-yl hydrogen phosphate
• Synonyms: α-Naphthyl phosphate monosodium salt monohydrate; Sodium 1-naphthyl phosphate monohydrate; 1-Naphthyl phosphate monosodium salt monohydrate; Monosodium 1-naphthyl phosphate monohydrate; 1-萘基磷酸酯 单钠盐 一水合物; 1-磷酸萘基酯单钠盐单水合物

Database IDs

• CAS Number: 81012-89-7
• EC Number: 220-171-7
• MDL Number: MFCD00150615
• Beilstein Number: 1877764
• PubChem SID: 162228677; 24897801
• PubChem CID: 23702143

CALCULATED PROPERTIES

• Acid pKa: 1.7687037
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.3771822
• LogD (pH = 7.4): -1.1169077
• Log P: 2.0052922
• Molar Refractivity: 54.2403 cm^3
• Polarizability: 22.559288 Å^3
• Polar Surface Area: 69.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble50 mg/mL; H2O: soluble50 mg/mL, clear, colorless
• Apperance: white to off-white powder
• Melting Point: 186-191°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98% (titration); ≥98.0% (HPLC); 98+%
• Impurities: ≤0.1% free naphthol
• Linear Formula: C10H7OP(O)(OH)(ONa) · H2O

DETAILS

Sigma Aldrich - N7000

Application
Preferred substrate for bioanalytical determinations of acid phosphatases, such as prostatic acid phosphatase.
Biochem/physiol Actions
Non-specific phosphatase inhibitor. Inhibits acid, alkaline and protein phosphatases.

Sigma Aldrich - 71090

Application
Preferred substrate for bioanalytical determinations of acid phosphatases, such as prostatic acid phosphatase.
Substrate for phosphatases. Has been used in a continuous assay for acid phosphatase.1
Biochem/physiol Actions
Non-specific phosphatase inhibitor. Inhibits acid, alkaline and protein phosphatases.

REFERENCES

• Substrate for phosphatase: J. Biol. Chem., 7, 190 (1951).