5-Bromo-6-chloro-3-indoxyl phosphate, disodium salt monohydrate - ≥98% , CAS No.404366-59-2

CAS: 404366-59-2 Cat. No.: B345606 Molecular Weight: 388.46 EC Number: 174-336-2

GRADE & PURITY ≥98%

Synonyms

Magenta phosphate sodium salt monohydrate

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

5-Bromo-6-chloro-3-indoxyl phosphate, disodium salt monohydrate is employed to visualize phosphatase activity. The end product is insoluble and magenta colored when used with Nitroblue Tetrazolium.

Specifications

Synonyms

Magenta phosphate sodium salt monohydrate

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504768973
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768973
• Canonical Smiles: C1=C2C(=CC(=C1Br)Cl)NC=C2OP(=O)([O-])[O-].[Na+].[Na+]
• IUPAC Name: disodium;(5-bromo-6-chloro-1H-indol-3-yl) phosphate
• InChIKey: YSYZSUYFGCLJJB-UHFFFAOYSA-L
• INCHI: 1S/C8H6BrClNO4P.2Na/c9-5-1-4-7(2-6(5)10)11-3-8(4)15-16(12,13)14;;/h1-3,11H,(H2,12,13,14);;/q;2*+1/p-2
• Isomeric SMILES: C1=C2C(=CC(=C1Br)Cl)NC=C2OP(=O)([O-])[O-].[Na+].[Na+]
• Molecular Weight: 388.46
• Reaxy-Rn: 39060693
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=39060693&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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Aryl phosphates
• Direct Parent: Aryl phosphomonoesters
• Alternative Parents: Indoles Substituted pyrroles Aryl bromides Aryl chlorides Benzenoids Heteroaromatic compounds Azacyclic compounds Organic metal halides Organic sodium salts Hydrocarbon derivatives Organobromides Organochlorides Organooxygen compounds Organonitrogen compounds Organic oxides Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aryl phosphomonoester - Indole - Indole or derivatives - Aryl bromide - Aryl chloride - Aryl halide - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Organic metal halide - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Organic salt - Organooxygen compound - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Organic sodium salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl phosphomonoesters. These are aryl phosphates in which the phosphate is monosubstituted.
• 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

• Solubility: Water
• Molecular Weight: 370.430 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 368.855 Da
• Monoisotopic Mass: 368.855 Da
• Topological Polar Surface Area: 88.200 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 303.000
• 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: 3

XLogP3