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4-(1H-Tetrazol-5-yl)benzaldehyde - ≥95%, high purity , CAS No.74815-22-8

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4-(1H-Tetrazol-5-yl)benzaldehyde - ≥95%, high purity , CAS No.74815-22-8

COA

Grade & Purity:

≥95%

Cas Number: 74815-22-8
Molecular Weight: 174.16
MDL number: MFCD01311033
PubChem CID: 2760606
PubChem SID: 504761579

In stock

Item Number

D304548

Grouped product items
SKU	Size	Availability	Price
D304548-250mg	250mg	3	$86.90
D304548-1g	1g	3	$266.90
D304548-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,201.90

Basic Description

Synonyms	74815-22-8 \| 4-(1H-Tetrazol-5-yl)Benzaldehyde \| 4-(2H-tetrazol-5-yl)benzaldehyde \| 4-(2H-Tetrazol-5-yl)-benzaldehyde \| CHEMBL3910545 \| 4-(2H-1,2,3,4-tetrazol-5-yl)benzaldehyde \| MFCD01311033 \| Benzaldehyde, 4-(1H-tetrazol-5-yl)- \| 4-(1H-1,2,3,4-Tetrazol-5-Yl)Benzaldehyde
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	Benzoyl derivatives Benzaldehydes Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenyltetrazole - Benzaldehyde - Benzoyl - Aryl-aldehyde - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Aldehyde - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - 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)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

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

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

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

Associated Targets(non-human)

Ca7 Carbonic anhydrase VII (3 Activities)

Discover Target: Ca7

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	504761579
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504761579
IUPAC Name	4-(2H-tetrazol-5-yl)benzaldehyde
INCHI	InChI=1S/C8H6N4O/c13-5-6-1-3-7(4-2-6)8-9-11-12-10-8/h1-5H,(H,9,10,11,12)
InChIKey	SRGPTCYCHZMFOR-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C=O)C2=NNN=N2
Isomeric SMILES	C1=CC(=CC=C1C=O)C2=NNN=N2
Molecular Weight	174.16
Reaxy-Rn	8053440
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8053440&ln=

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.

3 results found

Lot Number	Certificate Type	Date	Item
L2101063	Certificate of Analysis	Sep 12, 2024	D304548
L2101064	Certificate of Analysis	Sep 12, 2024	D304548
L2101422	Certificate of Analysis	Sep 12, 2024	D304548

Chemical and Physical Properties

Sensitivity	Light sensitive
Molecular Weight	174.160 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	174.054 Da
Monoisotopic Mass	174.054 Da
Topological Polar Surface Area	71.500 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	179.000
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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