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6217-68-1

Basic Information
CAS No.: 6217-68-1
Name: P-NITROPHENYL SULFATE POTASSIUM SALT
Article Data: 7
Molecular Structure:
Molecular Structure of 6217-68-1 (P-NITROPHENYL SULFATE POTASSIUM SALT)
Formula: C6H5NO6S.K
Molecular Weight: 257.265
Synonyms: Phenol,p-nitro-, hydrogen sulfate (ester), potassium salt (8CI);Phenol, p-nitro-,hydrogen sulfate, potassium salt (6CI,7CI);Sulfuric acid, mono(4-nitrophenyl)ester, potassium salt (9CI);Potassium 4-nitrophenyl sulfate;Potassiump-nitrophenyl sulfate;
EINECS: 228-288-5
Melting Point: 246-250 °C(lit.)
Appearance: Yellowish cyrstalline solid
Risk Codes: 20/21/22-36/37/38
Safety: 26-36/37/39
PSA: 120.63000
LogP: 2.03780
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  • Potassium p-Nitrophenyl Sulphate

  • Casno:

    6217-68-1

    Potassium p-Nitrophenyl Sulphate

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    Prime Molecular Co., Ltd. is a high-tech enterprise providing comprehensive customer service for pharmaceutical companies at home and abroad in accordance with international standards. Two R&D centers and two production sites in China, all well-equip

    Prime Molecular Co., Ltd. is an advanced chemical intermediates manufacture with ?two R&D centers and two production sites in China, all well-equipped with dedicated and profession

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  • P-NITROPHENYL SULFATE POTASSIUM SALT

  • Casno:

    6217-68-1

    P-NITROPHENYL SULFATE POTASSIUM SALT

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Application:Pharmaceutical intermediates

    Located in Jinan Hi-tech Development Park, Jinan Great Chemical Co.,Ltd. is a hi-tech enterprise of Shandong province. At present, Guruite is a large-scale hi-tech enterprise focus

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    Tel:+86-531-58668191 58668193 58668196 58661173

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  • Potassium 4-nitrophenyl sulfate

  • Casno:

    6217-68-1

    Potassium 4-nitrophenyl sulfate

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    NAME: P-NITROPHENYL SULFATE POTASSIUM SALT Synonym: 4-NITROPHENYL SULFATE;4-NITROPHENYL SULFATE POTASSIUM SALT;SULFURIC ACID MONO(4-NITROPHENYL) EST…

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  • Potassium 4-nitrophenyl sulfate

  • Casno:

    6217-68-1

    Potassium 4-nitrophenyl sulfate

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Known for its best quality and competitve price, this chemicals we offered is widely appreciated by our customers.Appearance:yellow to white solid Storage:keep sealed and keep from direct light Package:According client's requirements Application:Food

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    Tel:86-531-8233381 86-18678657237

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Specification

The IUPAC name of Sulfuric acid,mono(4-nitrophenyl) ester, potassium salt (1:1) is potassium (4-nitrophenyl) sulfate. With the CAS registry number 6217-68-1, it is also named as Phenol, p-nitro-, hydrogen sulfate (ester), potassium salt. The product's categories are API intermediates, metal isotopes, benzenes and sulfur & selenium compounds. It is yellowish cyrstalline solid which should be stored at the temperature of -20°C.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.02; (4)ACD/LogD (pH 7.4): -2.02; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Rotatable Bond Count: 1; (13)Exact Mass: 256.939639; (14)MonoIsotopic Mass: 256.939639; (15)Topological Polar Surface Area: 121; (16)Heavy Atom Count: 15; (17)Complexity: 280.

Preparation of Sulfuric acid,mono(4-nitrophenyl) ester, potassium salt (1:1): It can be obtained by 4-nitro-phenol. This reaction needs reagent sulfur trioxide pyridinium complex and solvent pyridine at temperature of 20 °C. The reaction time is 24 hours.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. And it is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1. SMILES: [K+].O=S([O-])(=O)Oc1ccc(cc1)[N+]([O-])=O;
2. InChI: InChI=1/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.