p-Tolyltetrazolium Red - ≥95% , CAS No.71658-33-8

CAS: 71658-33-8 Cat. No.: P160465 Summenformel: C₂₀H₁₇ClN₄ Molekulargewicht: 348.83 PubChem CID: 417321

GRADE & PURITY ≥95%

Synonyms

SCHEMBL1846530 | NCIOpen2_009775 | 2H-Tetrazolium, 2-(4-methylphenyl)-3,5-diphenyl-, chloride | 2-(4-methylphenyl)-3,5-diphenyltetrazol-2-ium | DTXSID30329099

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyme

SCHEMBL1846530 | NCIOpen2_009775 | 2H-Tetrazolium, 2-(4-methylphenyl)-3,5-diphenyl-, chloride | 2-(4-methylphenyl)-3,5-diphenyltetrazol-2-ium | DTXSID30329099

Spezifikationen & Reinheit

≥95%

Storage

Protected from light,Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

CC1=CC=C(C=C1)[N+]2=NC(=NN2C3=CC=CC=C3)C4=CC=CC=C4

IUPAC Name

2-(4-methylphenyl)-3,5-diphenyltetrazol-2-ium

InChIKey

QDQHUDINLICEPV-UHFFFAOYSA-N

INCHI

1S/C20H17N4/c1-16-12-14-19(15-13-16)24-22-20(17-8-4-2-5-9-17)21-23(24)18-10-6-3-7-11-18/h2-15H,1H3/q+1

Isomere SMILES

CC1=CC=C(C=C1)[N+]2=NC(=NN2C3=CC=CC=C3)C4=CC=CC=C4

PubChem CID

417321

Molekulargewicht

348.83

Reaxy-Rn

4927709

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azoles
• Subclass: Tetrazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyltetrazoles and derivatives
• Alternative Parents: Toluenes Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyltetrazole - Toluene - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic cation - Aromatic heteromonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light Sensitive
• Molekulargewicht: 313.400 g/mol
• XLogP3: 6.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 313.145 Da
• Monoisotopic Mass: 313.145 Da
• Topological Polar Surface Area: 34.600 Ų
• Heavy Atom Count: 24
• Formal Charge: 1
• Complexity: 381.000
• 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: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 71658-33-8, the molecular formula is C20H17ClN4, and the molecular weight is 348.83 g/mol. InChIKey QDQHUDINLICEPV-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.