potassium 4-nitrophenyl sulfate

• ChemBase ID: 102260
• Molecular Formular: C6H4KNO6S
• Molecular Mass: 257.26236
• Monoisotopic Mass: 256.93963953
• 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

NAMES AND DATABASE IDS

Names

• 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

Database IDs

• CAS Number: 6217-68-1
• EC Number: 228-288-5
• MDL Number: MFCD00007466
• Beilstein Number: 3786392
• PubChem SID: 24897664; 162089350
• PubChem CID: 80348

CALCULATED PROPERTIES

• Acid pKa: -2.9055321
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.2420471
• LogD (pH = 7.4): -1.2420474
• Log P: 1.1343514
• Molar Refractivity: 44.2337 cm^3
• Polarizability: 17.69141 Å^3
• Polar Surface Area: 112.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Water
• Apperance: Yellowish Cyrstalline Solid
• Melting Point: 246-250 °C(lit.)

Safety Information

• Storage Condition: -20°C, Desiccate, Protect from light
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 02100879

Potassium Salt
low p-Nitrophenol content
Crystalline
Purity: 98%+
Chromogenic sulfatase substrate.

Sigma Aldrich - N3877

Substrates
Chromogenic sulfatase substrate.