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2,3-Bis(4-methoxyphenyl)-5-(4-cyanophenyl)tetrazolium Chloride - 95%, high purity , CAS No.151390-91-9

COA

Grade & Purity:

≥95%

Cas Number: 151390-91-9
Molecular Weight: 419.87
MDL number: MFCD00060131
PubChem CID: 44630129
PubChem SID: 504770430

In stock

Item Number

B152201

Grouped product items
SKU	Size	Availability	Price
B152201-10mg	10mg	3	$9.90
B152201-25mg	25mg	3	$15.90
B152201-100mg	100mg	3	$46.90
B152201-250mg	250mg	2	$104.90

View related series

Halogen free heterocyclic block (1207) Tetrazolium (46)

Basic Description

Synonyms	SCHEMBL917523 \| 2,3-Bis(4-methoxyphenyl)-5-(4-cyanophenyl)tetrazolium Chloride \| 4-[2,3-bis(4-methoxyphenyl)tetrazol-2-ium-5-yl]benzonitrile;chloride \| D88782 \| MFCD00060131 \| B1311
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C,Protected from light
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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	Methoxyanilines Phenoxy compounds Methoxybenzenes Benzonitriles Anisoles Alkyl aryl ethers Heteroaromatic compounds Nitriles Azacyclic compounds Organic chloride salts Hydrocarbon derivatives Organic cations
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenyltetrazole - Methoxyaniline - Phenoxy compound - Anisole - Benzonitrile - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Ether - Carbonitrile - Nitrile - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organic chloride salt - Organic salt - 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

Pubchem Sid	504770430
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504770430
IUPAC Name	4-[2,3-bis(4-methoxyphenyl)tetrazol-2-ium-5-yl]benzonitrile;chloride
INCHI	InChI=1S/C22H18N5O2.ClH/c1-28-20-11-7-18(8-12-20)26-24-22(17-5-3-16(15-23)4-6-17)25-27(26)19-9-13-21(29-2)14-10-19;/h3-14H,1-2H3;1H/q+1;/p-1
InChIKey	FSMGZHHFVGWWGM-UHFFFAOYSA-M
Smiles	COC1=CC=C(C=C1)N2N=C(N=[N+]2C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C#N.[Cl-]
Isomeric SMILES	COC1=CC=C(C=C1)N2N=C(N=[N+]2C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C#N.[Cl-]
PubChem CID	44630129
Molecular Weight	419.87

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
H2302328	Certificate of Analysis	Jul 10, 2023	B152201
H2302331	Certificate of Analysis	Jul 10, 2023	B152201
H2302329	Certificate of Analysis	Jul 10, 2023	B152201
H2302322	Certificate of Analysis	Jul 10, 2023	B152201
H2302401	Certificate of Analysis	Jul 10, 2023	B152201
H2302333	Certificate of Analysis	Jul 10, 2023	B152201
H2302334	Certificate of Analysis	Jul 10, 2023	B152201
H2302404	Certificate of Analysis	Jul 10, 2023	B152201

Chemical and Physical Properties

Solubility	Soluble in Methanol
Sensitivity	Light Sensitive
Molecular Weight	419.900 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	419.115 Da
Monoisotopic Mass	419.115 Da
Topological Polar Surface Area	76.800 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	525.000
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

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