5-Bromo-6-chloro-3-indolyl phosphate, p-toluidine salt - ≥98% , CAS No.6769-80-8

CAS: 6769-80-8 Cat. No.: B334413 Molecular Weight: 433.62 PubChem CID: 192667

GRADE & PURITY ≥98%

Synonyms

AKOS024462476 | 5-BROMO-6-CHLORO-3-INDOXYL PHOSPHATE, p-toluidine salt | A853850 | AS-69216 | B-7550 | (5-bromo-6-chloro-1H-indol-3-yl)oxy-dioxido-oxo-phosphorane | DTXSID70165559 | Magenta phosphate | 5-Bromo-6-chloro-3-indolyl phosphate p-toluidine salt

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

5-Bromo-6-chloro-3-indoxyl phosphate p-toluidine salt, also known as Magenta-phos p-toluidine salt, is a histochemical substance used for visualizing areas of alkaline phosphatase activity. Hydrolysis of the phosphate group on 5-Bromo-6-chloro-3-indoxyl phosphate by alkaline phosphatase generates an insoluble indigo compound. The indoxyl species resulting from phosphate hydrolysis of related compounds can be reacted with tetrazolium salts, reducing the tetrazolium to a colorful insoluble formazan species. A solubilization technique involving reduction of the insoluble hydrolytic product of the closely related 5-Bromo-4-chloro-3-indoxyl phosphate permitted the use of this substrate in quantitative ELISA experiments. 5-Bromo-6-chloro-3-indolyl phosphate, p-toluidine salt is a substrate of TNAP.

Specifications

Synonyms

AKOS024462476 | 5-BROMO-6-CHLORO-3-INDOXYL PHOSPHATE, p-toluidine salt | A853850 | AS-69216 | B-7550 | (5-bromo-6-chloro-1H-indol-3-yl)oxy-dioxido-oxo-phosphorane | DTXSID70165559 | Magenta phosphate | 5-Bromo-6-chloro-3-indolyl phosphate p-toluidine salt

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

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

• Canonical Smiles: CC1=CC=C(C=C1)N.C1=C2C(=CC(=C1Br)Cl)NC=C2OP(=O)(O)O
• IUPAC Name: (5-bromo-6-chloro-1H-indol-3-yl) dihydrogen phosphate;4-methylaniline
• InChIKey: WUHVYTJTZAKPOS-UHFFFAOYSA-N
• INCHI: 1S/C8H6BrClNO4P.C7H9N/c9-5-1-4-7(2-6(5)10)11-3-8(4)15-16(12,13)14;1-6-2-4-7(8)5-3-6/h1-3,11H,(H2,12,13,14);2-5H,8H2,1H3
• Isomeric SMILES: CC1=CC=C(C=C1)N.C1=C2C(=CC(=C1Br)Cl)NC=C2OP(=O)(O)O
• PubChem CID: 192667
• Molecular Weight: 433.62

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 Aniline and substituted anilines Aminotoluenes Substituted pyrroles Aryl chlorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Aryl phosphomonoester - Indole - Indole or derivatives - Aminotoluene - Aniline or substituted anilines - Toluene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Organoheterocyclic compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - 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: Soluble in DMF
• Melt Point(°C): 197-201°
• Molecular Weight: 433.620 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 431.964 Da
• Monoisotopic Mass: 431.964 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 377.000
• 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: 2

XLogP3