Fast Red TR Salt hemi(zinc chloride) salt - Dye content 15 % , CAS No.89453-69-0

CAS: 89453-69-0 Cat. No.: F113048 Molecular Weight: 257.19 EC Number: 892-312-6 PubChem CID: 16212368

GRADE & PURITY Dye content 15 %

Synonyms

4-Chloro-2-methylbenzenediazonium salt Azoic Diazo No. 11 Fast Red TR Salt hemi[zinc chloride] salt

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

4-Chloro-2-methylbenzenediazonium salt Azoic Diazo No. 11 Fast Red TR Salt hemi[zinc chloride] salt

Specifications & Purity

Dye content 15 %

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.

Names and Identifiers

• Pubchem Sid: 504768169
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768169
• Canonical Smiles: CC1=C(C=CC(=C1)Cl)[N+]#N.CC1=C(C=CC(=C1)Cl)[N+]#N.[Cl-].[Cl-].Cl[Zn]Cl
• IUPAC Name: 4-chloro-2-methylbenzenediazonium;dichlorozinc;dichloride
• InChIKey: RIIVFDKBXXMYRL-UHFFFAOYSA-J
• INCHI: 1S/2C7H6ClN2.4ClH.Zn/c2*1-5-4-6(8)2-3-7(5)10-9;;;;;/h2*2-4H,1H3;4*1H;/q2*+1;;;;;+2/p-4
• Isomeric SMILES: CC1=C(C=CC(=C1)Cl)[N+]#N.CC1=C(C=CC(=C1)Cl)[N+]#N.[Cl-].[Cl-].Cl[Zn]Cl
• WGK Germany: 3
• PubChem CID: 16212368
• Molecular Weight: 257.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Chlorobenzenes
• Alternative Parents: Toluenes Aryl chlorides Organic diazonium salts Organic transition metal salts Organopnictogen compounds Organochlorides Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Toluene - Chlorobenzene - Aryl halide - Aryl chloride - Organic diazonium salt - Organic metal salt - Organic transition metal salt - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as chlorobenzenes. These are compounds containing one or more chlorine atoms attached to a benzene moiety.
• 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

• Molecular Weight: 514.400 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 511.846 Da
• Monoisotopic Mass: 509.848 Da
• Topological Polar Surface Area: 56.300 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 163.000
• 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: 5

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