5-Cyano-2,3-di-(p-tolyl)tetrazolium chloride（CTC） , CAS No.90217-02-0

CAS: 90217-02-0 Cat. No.: C332686 Molecular Weight: 311.77 EC Number: 622-453-9

Synonyms

5-Cyano-2,3-ditolyltetrazolium chloride | 2,3-bis(4-methylphenyl)tetrazol-2-ium-5-carbonitrile;chloride | 5-Cyano-2,3-di-(p-tolyl)tetrazolium chloride, >=85% (HPLC) | SCHEMBL338974 | 2H-Tetrazolium, 5-cyano-2,3-bis(4-methylphenyl)-, chloride | 5-Cyano-2,3

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

5-Cyano-2,3-di-(p-tolyl)tetrazolium chloride (CTC) is a widely used and accepted dye in environmental and ecological studies. The redox dye CTC is a good vital stain for estimating aerobic bacteria with high metabolic activity due to their ability to reduce CTC to the fluorescent product. The reduction to the fluorescently active formazan form occurs by CTC scavenging for electrons from the components of the electron transport system or dehydrogenases. The dye has been used in conjunction with the nucleic acid staining dye DAPI to quantitate viable bacteria.

Specifications

Synonyms

5-Cyano-2, 3-ditolyltetrazolium chloride | 2, 3-bis(4-methylphenyl)tetrazol-2-ium-5-carbonitrile;chloride | 5-Cyano-2, 3-di-(p-tolyl)tetrazolium chloride, >=85% (HPLC) | SCHEMBL338974 | 2H-Tetrazolium, 5-cyano-2, 3-bis(4-methylphenyl)-, chloride | 5-Cyano-2, 3

Storage

Protected from light, 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.

Names and Identifiers

• Canonical Smiles: CC1=CC=C(C=C1)N2N=C(N=[N+]2C3=CC=C(C=C3)C)C#N.[Cl-]
• IUPAC Name: 2,3-bis(4-methylphenyl)tetrazol-2-ium-5-carbonitrile;chloride
• InChIKey: SSJZAXOTLCJNLF-UHFFFAOYSA-M
• INCHI: 1S/C16H14N5.ClH/c1-12-3-7-14(8-4-12)20-18-16(11-17)19-21(20)15-9-5-13(2)6-10-15;/h3-10H,1-2H3;1H/q+1;/p-1
• Isomeric SMILES: CC1=CC=C(C=C1)N2N=C(N=[N+]2C3=CC=C(C=C3)C)C#N.[Cl-]
• Molecular Weight: 311.77
• Reaxy-Rn: 8954451
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8954451&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Tetrazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Tetrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyltetrazoles and derivatives
• Alternative Parents: Toluenes Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organic chloride salts Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyltetrazole - Toluene - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenyltetrazoles and derivatives. These are compounds containing a phenyltetrazole skeleton, which consists of a tetrazole bound to a phenyl 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

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Melt Point(°C): 225° C
• Molecular Weight: 311.770 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 311.094 Da
• Monoisotopic Mass: 311.094 Da
• Topological Polar Surface Area: 58.400 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 357.000
• 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

References

1. Mingzhu Zhu, Chen He, Jinchuan Zhou, Yi Li, Lilin Qian, Jiaozhen Zhang, Yanan Qiao, Wenqiang Chang, Hongxiang Lou.  (2023)  Liverwort-Derived Metabolites Retard Endophyte Growth and Inspire Antifungal Application.  JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,      [PMID:36919252] [10.1021/acs.jafc.2c08866]