5-bromo-4-chloro-3-indoxyl sulfate p-toluidine salt - ≥98% , CAS No.6581-23-3

CAS: 6581-23-3 Cat. No.: B664124 PubChem CID: 67908206

GRADE & PURITY ≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

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=CC(=C(C2=C1NC=C2OS(=O)(=O)O)Cl)Br
• IUPAC Name: (5-bromo-4-chloro-1H-indol-3-yl) hydrogen sulfate;4-methylaniline
• InChIKey: JZGXUJTZOXDSGV-UHFFFAOYSA-N
• INCHI: 1S/C8H5BrClNO4S.C7H9N/c9-4-1-2-5-7(8(4)10)6(3-11-5)15-16(12,13)14;1-6-2-4-7(8)5-3-6/h1-3,11H,(H,12,13,14);2-5H,8H2,1H3
• Isomeric SMILES: CC1=CC=C(C=C1)N.C1=CC(=C(C2=C1NC=C2OS(=O)(=O)O)Cl)Br
• PubChem CID: 67908206

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic sulfuric acids and derivatives
      • Subclass Arylsulfates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic sulfuric acids and derivatives
• Subclass: Arylsulfates
• Intermediate Tree Nodes: Not available
• Direct Parent: Arylsulfates
• Alternative Parents: Indoles Aminotoluenes Aniline and substituted anilines Sulfuric acid monoesters Substituted pyrroles Aryl bromides Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Amines Organic oxides Organobromides Organochlorides Organic cations
• Molecular Framework: Not available
• Substituents: Arylsulfate - Indole - Indole or derivatives - Aniline or substituted anilines - Aminotoluene - Toluene - Aryl bromide - Aryl chloride - Benzenoid - Aryl halide - Sulfuric acid ester - Sulfate-ester - Sulfuric acid monoester - Substituted pyrrole - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Azacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Amine - Organic cation - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as arylsulfates. These are organic compounds containing a sulfate group that carries an aryl group through an ether 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