4-Nitrophenyl phosphate disodium salt hexahydrate - for enzyme immunoassay, ≥99% , CAS No.333338-18-4

CAS: 333338-18-4 Cat. No.: P118471 Molecular Weight: 371.14 Beilstein Registry Number: 6237 EC Number: 224-246-5

GRADE & PURITY for Enzyme immunoassay(ELISA), ≥99%

Synonyms

4-Nitrophenyl phosphate disodium salt hexahydrate | p-nitrophenyl phosphate disodium salt hexahydrate | 4-Nitrophenyl phosphate, disodium salt hexahydrate | SY074980 | 4-Nitrophenyl phosphate disodium salt hexahydrate (PNPP) | Phosphatase | FT-0766939 | A

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Chromogenic substrate for the determination of acid and alkaline phosphatases. The reaction produces a soluble end product that is yellow in color. The reaction may be stopped with 3 N NaOH and read at 405 nm.

Specifications

Synonyms

4-Nitrophenyl phosphate disodium salt hexahydrate | p-nitrophenyl phosphate disodium salt hexahydrate | 4-Nitrophenyl phosphate, disodium salt hexahydrate | SY074980 | 4-Nitrophenyl phosphate disodium salt hexahydrate (PNPP) | Phosphatase | FT-0766939 | A

Specifications & Purity

for enzyme immunoassay, ≥99%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

for Enzyme immunoassay(ELISA)

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C1=CC(=CC=C1[N+](=O)[O-])OP(=O)([O-])[O-].O.O.O.O.O.O.[Na+].[Na+]
• IUPAC Name: disodium;(4-nitrophenyl) phosphate;hexahydrate
• InChIKey: KAKKHKRHCKCAGH-UHFFFAOYSA-L
• INCHI: 1S/C6H6NO6P.2Na.6H2O/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;;;;;;;;/h1-4H,(H2,10,11,12);;;6*1H2/q;2*+1;;;;;;/p-2
• Isomeric SMILES: C1=CC(=CC=C1[N+](=O)[O-])OP(=O)([O-])[O-].O.O.O.O.O.O.[Na+].[Na+]
• WGK Germany: 3
• Alternate CAS: 4264-83-9
• Molecular Weight: 371.14
• Beilstein: 6237
• Reaxy-Rn: 14249086
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14249086&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Aryl phosphates
          • Level6 Aryl phosphomonoesters
            • Level7 Phenyl phosphates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Aryl phosphates - Aryl phosphomonoesters
• Direct Parent: Phenyl phosphates
• Alternative Parents: Nitrobenzenes Phenoxy compounds Nitroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenyl phosphate - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic alkali metal salt - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic nitrogen compound - Organic salt - Organic sodium salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenyl phosphates. These are aromatic organooxygen compounds containing a phosphate group, which is O-esterified with a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Melt Point(°C): 300°C
• Molecular Weight: 371.140 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 1
• Exact Mass: 371.021 Da
• Monoisotopic Mass: 371.021 Da
• Topological Polar Surface Area: 124.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 238.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 9

XLogP3

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