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6217-68-1 molecular structure
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potassium 4-nitrophenyl sulfate

ChemBase ID: 102260
Molecular Formular: C6H4KNO6S
Molecular Mass: 257.26236
Monoisotopic Mass: 256.93963953
SMILES and InChIs

SMILES:
[K+].[O-][N+](=O)c1ccc(OS(=O)(=O)[O-])cc1
Canonical SMILES:
[O-][N+](=O)c1ccc(cc1)OS(=O)(=O)[O-].[K+]
InChI:
InChI=1S/C6H5NO6S.K/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;/h1-4H,(H,10,11,12);/q;+1/p-1
InChIKey:
BITVAZYUWRLLCN-UHFFFAOYSA-M

Cite this record

CBID:102260 http://www.chembase.cn/molecule-102260.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
potassium 4-nitrophenyl sulfate
IUPAC Traditional name
potassium p-nitrophenyl sulfate
potassium ion p-nitrophenyl sulfate
Synonyms
4-Nitrophenyl sulfate potassium salt
Potassium 4-nitrophenyl sulfate
p-NITROPHENYL SULFATE POTASSIUM SALT
p-Nitrophenyl Sulfate Potassium Salt
Potassium p-Nitrophenyl Sulphate
CAS Number
6217-68-1
EC Number
228-288-5
MDL Number
MFCD00007466
Beilstein Number
3786392
PubChem SID
24897664
162089350
PubChem CID
80348

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 80348 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -2.9055321  H Acceptors
H Donor LogD (pH = 5.5) -1.2420471 
LogD (pH = 7.4) -1.2420474  Log P 1.1343514 
Molar Refractivity 44.2337 cm3 Polarizability 17.69141 Å3
Polar Surface Area 112.25 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Water expand Show data source
Apperance
Yellowish Cyrstalline Solid expand Show data source
Melting Point
246-250 °C(lit.) expand Show data source
Storage Condition
-20°C, Desiccate, Protect from light expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Storage Temperature
-20°C expand Show data source
Purity
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02100879 external link
Potassium Salt
low p-Nitrophenol content
Crystalline
Purity: 98%+
Chromogenic sulfatase substrate.
Sigma Aldrich - N3877 external link
Substrates
Chromogenic sulfatase substrate.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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