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

COA

Grade & Purity:

≥95%

Cas Number: 71658-33-8
Molecular Weight: 348.83
MDL number: MFCD00060004
PubChem CID: 417321

In stock

Item Number

P160465

Grouped product items
SKU	Size	Availability	Price	Qty
P160465-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$89.90
P160465-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$401.90

View related series

Halogen free heterocyclic block (1207) Tetrazolium (46)

Basic Description

Synonyms	SCHEMBL1846530 \| NCIOpen2_009775 \| 2H-Tetrazolium, 2-(4-methylphenyl)-3,5-diphenyl-, chloride \| 2-(4-methylphenyl)-3,5-diphenyltetrazol-2-ium \| DTXSID30329099
Specifications & Purity	≥95%
Storage Temp	Protected from light
Shipped In	Normal

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 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
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
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

Names and Identifiers

IUPAC Name	2-(4-methylphenyl)-3,5-diphenyltetrazol-2-ium
INCHI	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
InChIKey	QDQHUDINLICEPV-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)[N+]2=NC(=NN2C3=CC=CC=C3)C4=CC=CC=C4
Isomeric SMILES	CC1=CC=C(C=C1)[N+]2=NC(=NN2C3=CC=CC=C3)C4=CC=CC=C4
PubChem CID	417321
Molecular Weight	348.83
Reaxy-Rn	4927709

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Light Sensitive
Molecular Weight	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 Å²
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

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