Basic information
- CAS
6217-68-1- Standard SMILES
O=[N+]([O-])c1ccc(OS(=O)(=O)[O-])cc1.[K+]- InChIKey
BITVAZYUWRLLCN-UHFFFAOYSA-M- Molecular formula
- C6H4KNO6S
- Average molar mass
- 257.26 g/mol
- Monoisotopic mass
- 256.93963951
Names & identifiers
- Preferred name
- Sulfuric acid, mono(4-nitrophenyl) ester, potassium salt (1:1)
- IUPAC
- potassium (4-nitrophenyl) sulfate
- English name
- p-Nitrophenyl sulfate potassium salt
- Molecular formula
- C6H5NO6S.K
- Molecular weight
- 258.27
Names & synonyms
Potassium 4-nitrophenyl sulfateSulfuric acid, mono(4-nitrophenyl) ester, potassium saltpotassium p-nitrophenyl sulfateNSC 121598DTXSID4064139EINECS 228-288-5NSC 26566Phenol, p-nitro-, hydrogen sulfate (ester), potassium saltSulfuric acid, mono(4-nitrophenyl) ester, potassium salt (1:1)RefChem:889815Potassium 4nitrophenyl sulphateDTXCID1043251
Show more names
4-NITROPHENYL SULFATEp-NITROPHENYL SULFATEP-NITROPHENYL SULFATE POTASSIUMPOTASSIUM P-NITROPHENYL SULPHATEPotassium4-NitrophenylSulfate>Sulfuric acid 4-nitrophenyl esterSulfuric acid p-nitrophenyl ester
4Nitrophenyl sulfate potassium saltp-nitrophenyl sufate potassium saltPhenol, pnitro, hydrogen sulfate (ester), potassium saltSulfuric acid, mono(4nitrophenyl) ester, potassium salt6217-68-1P-NITROPHENYL SULFATE POTASSIUM SALT4-Nitrophenyl sulfate potassium saltPotassium 4-nitrophenyl sulphate
Properties
Computed structural properties
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 280
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitrophenols
Physical DescriptionLight yellow crystals; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 246 · 246-250 °C(lit.)
- storage temp.
- -20 °C · -20°C
- solubility
- Water (Slightly)
- form
- Crystalline Powder
- color
- Pale yellow to yellow
- Water Solubility
- 50 mg/mL, · water: 50mg/mL, clear, colorless to very faintly greenish-yellow (to Very Light Yellow)
- BRN
- 3786392 · 3786392
- 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
- SMILES
- S([O-])(=O)(=O)OC1C=CC([N+]([O-])=O)=CC=1.[K+]
- CAS DataBase Reference
- 6217 · 6217-68-1(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationSulfuric acid, mono(4-nitrophenyl) ester, potassium salt: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummaryMay cause irritation; [Sigma-Aldrich MSDS] See 4-Nitrophenol and p-Nitrophenol sodium salt.
Toxicology
Adverse EffectsMethemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect
Safety data
- F
- 8-10-21
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29049095
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- safety_code
- 26-36/37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H320-H351
- Precautionary statements
- P501-P202-P201-P264-P280-P308+P313-P337+P313-P305+P351+P338-P405
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationSulfuric acid, mono(4-nitrophenyl) ester, potassium salt (1:1): ACTIVE
Applications
UsesPotassium p-Nitrophenyl Sulphate (cas# 6217-68-1) is a compound useful in organic synthesis.
UsesPotassium 4-nitrophenyl sulfate has been used:as a substrate to measure arylsulfatase activity in cell-free coelomic fluidas a substrate for p-nitrophenyl glycoside-based enzyme assayto inhibit arylsulfataseas an inorganic analog of organic aryl ester sulphate
Suppliers90 total
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海康恩博科技有限公司（科小研试剂）400-1388-521 17673770086 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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