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5-(4-Methoxyphenyl)-1H-tetrazole - ≥95%, high purity , CAS No.6926-51-8

COA

Grade & Purity:

≥95%

Cas Number: 6926-51-8
Molecular Weight: 176.18
MDL number: MFCD00844026
PubChem CID: 307902
PubChem SID: 504758417

In stock

Item Number

B301368

Grouped product items
SKU	Size	Availability	Price
B301368-100mg	100mg	3	$69.90
B301368-250mg	250mg	3	$134.90
B301368-1g	1g	9	$433.90
B301368-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,511.90

Basic Description

Synonyms	6926-51-8 \| 5-(4-methoxyphenyl)-2H-tetrazole \| 5-(4-Methoxy-phenyl)-2H-tetrazole \| 5-(4-METHOXYPHENYL)-1H-TETRAZOLE \| 2H-Tetrazole,5-(4-methoxyphenyl)- \| 5-(4-Methoxy-phenyl)-1H-tetrazole \| NSC206225 \| 4-methoxyphenyl tetrazole \| 5-(4-Methoxyphenyl)-1H-1,2,3,4-Tetrazole \|
Specifications & Purity	≥95%
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	Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenyltetrazole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen 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
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	504758417
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504758417
IUPAC Name	5-(4-methoxyphenyl)-2H-tetrazole
INCHI	InChI=1S/C8H8N4O/c1-13-7-4-2-6(3-5-7)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12)
InChIKey	KZGGHPBTKGLWQL-UHFFFAOYSA-N
Smiles	COC1=CC=C(C=C1)C2=NNN=N2
Isomeric SMILES	COC1=CC=C(C=C1)C2=NNN=N2
Molecular Weight	176.18
Reaxy-Rn	516154
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=516154&ln=

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

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Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
F2213303	Certificate of Analysis	Mar 04, 2025	B301368
F2213477	Certificate of Analysis	Mar 04, 2025	B301368
F2213302	Certificate of Analysis	Mar 04, 2025	B301368
F2213478	Certificate of Analysis	Mar 04, 2025	B301368
H2127181	Certificate of Analysis	Jun 11, 2024	B301368

Chemical and Physical Properties

Melt Point(°C)	235-238°C
Molecular Weight	176.180 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	176.07 Da
Monoisotopic Mass	176.07 Da
Topological Polar Surface Area	63.700 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	158.000
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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