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81012-89-7 molecular structure
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sodium hydrate naphthalen-1-yl hydrogen phosphate

ChemBase ID: 134401
Molecular Formular: C10H10NaO5P
Molecular Mass: 264.146931
Monoisotopic Mass: 264.01635433
SMILES and InChIs

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

Cite this record

CBID:134401 http://www.chembase.cn/molecule-134401.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
81012-89-7
EC Number
220-171-7
MDL Number
MFCD00150615
Beilstein Number
1877764
PubChem SID
162228677
24897801
PubChem CID
23702143

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 23702143 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.7687037  H Acceptors
H Donor LogD (pH = 5.5) -0.3771822 
LogD (pH = 7.4) -1.1169077  Log P 2.0052922 
Molar Refractivity 54.2403 cm3 Polarizability 22.559288 Å3
Polar Surface Area 69.59 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
H2O: soluble50 mg/mL expand Show data source
H2O: soluble50 mg/mL, clear, colorless expand Show data source
Apperance
white to off-white powder expand Show data source
Melting Point
186-191°C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26 expand Show data source
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98% (titration) expand Show data source
≥98.0% (HPLC) expand Show data source
98+% expand Show data source
Impurities
≤0.1% free naphthol expand Show data source
Linear Formula
C10H7OP(O)(OH)(ONa) · H2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - N7000 external link
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 external link
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

REFERENCES

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

PATENTS

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INTERNET

INTERNET

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