disodium naphthalen-1-yl phosphate

• ChemBase ID: 102125
• Molecular Formular: C10H7Na2O4P
• Molecular Mass: 268.113481
• Monoisotopic Mass: 267.9877339
• SMILES: [Na+].[Na+].[O-]P(=O)([O-])Oc1c2ccccc2ccc1
• Canonical SMILES: [O-]P(=O)(Oc1cccc2c1cccc2)[O-].[Na+].[Na+]
• InChI: InChI=1S/C10H9O4P.2Na/c11-15(12,13)14-10-7-3-5-8-4-1-2-6-9(8)10;;/h1-7H,(H2,11,12,13);;/q;2*+1/p-2
• InChIKey: QYURIFWAOPAPAJ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium naphthalen-1-yl phosphate
• IUPAC Traditional name: disodium naphthalen-1-yl phosphate; dipotassium naphthalen-1-yl phosphate
• Synonyms: α-Naphthyl phosphate disodium salt; Disodium 1-naphthyl phosphate; 1-Naphthyl phosphate disodium salt; 1-Naphthyl phosphate disodium salt; α-NAPHTHYL PHOSPHATE DISODIUM SALT HYDRATE; 1-萘基磷酸酯 二钠盐

Database IDs

• CAS Number: 2183-17-7
• EC Number: 218-564-3
• MDL Number: MFCD00041007
• PubChem SID: 162089541; 24897818
• PubChem CID: 75132

CALCULATED PROPERTIES

• Acid pKa: 1.7687037
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.3771822
• LogD (pH = 7.4): -1.1169077
• Log P: 2.0052922
• Molar Refractivity: 53.1186 cm^3
• Polarizability: 22.449516 Å^3
• Polar Surface Area: 72.42 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 157-159°C

Safety Information

• Storage Condition: 0°C
• 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; 2-8°C

Product Information

• Purity: ≥99.0% (HPLC)
• Impurities: ≤0.2% free naphthol
• Loss on Drying: 5-7% loss on drying
• Empirical Formula (Hill Notation): C10H7Na2O4P

DETAILS

MP Biomedicals - 02100257

Disodium Salt
Crystalline
Substrate for phosphatase.

Sigma Aldrich - N7255

Substrates
Substrate for determination of phosphatase.

Sigma Aldrich - 71105

Other Notes
Preferred substrate for measuring prostatic acid phosphatase1; histochemical demonstration of acid phosphatase2; and alkaline phosphatase3

REFERENCES

• Steven, J. and Thomas, F., Clin. Chim. Acta , 37 : 541 (1972).