6-Chloro-3-indoxyl phosphate, p-toluidine salt - ≥98% , CAS No.159954-33-3

CAS: 159954-33-3 Cat. No.: C342210 Molecular Weight: 354.73 EC Number: 640-281-2 PubChem CID: 192665

GRADE & PURITY ≥98%

Synonyms

DTXSID10165558 | p-Toluidine 6-chloro-1H-indol-3-yl phosphate | 6-Chloro-3-indolyl phosphate, p-toluidine salt | C-5100 | 4-methylaniline; [(6-chloro-1H-indol-3-yl)oxy]phosphonic acid | (6-chloro-1H-indol-3-yl) dihydrogen phosphate;4-methylaniline | 6-Chl

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Substrate to visualize alkaline phosphatase activity. Substrate useful for Northern, Southern, and Western blotting, in situ hybridization, ELISAs and immunohistochemistry.

Specifications

Synonyms

DTXSID10165558 | p-Toluidine 6-chloro-1H-indol-3-yl phosphate | 6-Chloro-3-indolyl phosphate, p-toluidine salt | C-5100 | 4-methylaniline; [(6-chloro-1H-indol-3-yl)oxy]phosphonic acid | (6-chloro-1H-indol-3-yl) dihydrogen phosphate;4-methylaniline | 6-Chl

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

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=CC2=C(C=C1Cl)NC=C2OP(=O)(O)O
• IUPAC Name: (6-chloro-1H-indol-3-yl) dihydrogen phosphate;4-methylaniline
• InChIKey: IUBOLLVEZYFKQN-UHFFFAOYSA-N
• INCHI: 1S/C8H7ClNO4P.C7H9N/c9-5-1-2-6-7(3-5)10-4-8(6)14-15(11,12)13;1-6-2-4-7(8)5-3-6/h1-4,10H,(H2,11,12,13);2-5H,8H2,1H3
• Isomeric SMILES: CC1=CC=C(C=C1)N.C1=CC2=C(C=C1Cl)NC=C2OP(=O)(O)O
• PubChem CID: 192665
• Molecular Weight: 354.73

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 Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Aryl phosphomonoester - Indole - Indole or derivatives - Aniline or substituted anilines - Aminotoluene - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Amine - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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 methanol and DMF
• Molecular Weight: 354.720 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 354.054 Da
• Monoisotopic Mass: 354.054 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 347.000
• 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

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