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5-(p-Tolyl)-1H-tetrazole - >98.0%(HPLC), high purity , CAS No.24994-04-5

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5-(p-Tolyl)-1H-tetrazole - >98.0%(HPLC), high purity , CAS No.24994-04-5

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 24994-04-5
Molecular Weight: 160.18
Beilstein Registry Number: 26(3/4)1804
MDL number: MFCD01318164
PubChem CID: 285164
PubChem SID: 488189266

In stock

Item Number

P160650

Grouped product items
SKU	Size	Availability	Price
P160650-1g	1g	1	$21.90
P160650-5g	5g	1	$82.90
P160650-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$251.90

View related series

Five-Membered Heterocyclic Compounds (2064) Tetrazolium (46)

Basic Description

Synonyms	5-(4-methylphenyl)-2H-1,2,3,4-tetrazole \| 5-(4-Methylphenyl)-1H-tetrazole, 97% \| HMS2383J19 \| 5-(4-Methylphenyl)-1H-tetrazole \| 5-(4-methylphenyl)-2H-1,2,3,4-tetraazole \| 5-p-tolyl tetrazole \| AKOS000296813 \| CHEBI:116179 \| AC-7603 \| IDI1_016653 \| MFCD002
Specifications & Purity	≥98%(HPLC)
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
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenyltetrazole - Toluene - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - 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
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

Associated Targets(Human)

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hsf1 Heat shock factor protein 1 (5445 Activities)

Discover Target: Hsf1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Luciferin 4-monooxygenase (66902 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

fba Putative fructose-1,6-bisphosphate aldolase (15559 Activities)

Discover Target: fba

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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	488189266
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488189266
IUPAC Name	5-(4-methylphenyl)-2H-tetrazole
INCHI	InChI=1S/C8H8N4/c1-6-2-4-7(5-3-6)8-9-11-12-10-8/h2-5H,1H3,(H,9,10,11,12)
InChIKey	BCCJIAZPYBJASR-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)C2=NNN=N2
Isomeric SMILES	CC1=CC=C(C=C1)C2=NNN=N2
WGK Germany	3
PubChem CID	285164
Molecular Weight	160.18
Beilstein	26(3/4)1804
Reaxy-Rn	131226

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot Number	Certificate Type	Date	Item
I2001095	Certificate of Analysis	Jun 18, 2024	P160650
I2001094	Certificate of Analysis	Jun 18, 2024	P160650
G2219925	Certificate of Analysis	Jun 17, 2022	P160650
G2219950	Certificate of Analysis	Jun 17, 2022	P160650
G2219928	Certificate of Analysis	Jun 17, 2022	P160650

Chemical and Physical Properties

Solubility	Soluble in Dimethylformamide
Melt Point(°C)	248°C(lit.)
Molecular Weight	160.180 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	160.075 Da
Monoisotopic Mass	160.075 Da
Topological Polar Surface Area	54.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	142.000
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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