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5-(4-Fluorophenyl)-1H-tetrazole - 95%, high purity , CAS No.50907-21-6

COA

Grade & Purity:

≥95%

Cas Number: 50907-21-6
Molecular Weight: 164.14
MDL number: MFCD00478201
PubChem CID: 766140
PubChem SID: 488191449

In stock

Item Number

B301269

Grouped product items
SKU	Size	Availability	Price
B301269-250mg	250mg	6	$18.90
B301269-1g	1g	6	$56.90
B301269-5g	5g	5	$217.90

Discover 5-(4-Fluorophenyl)-1H-tetrazole by Aladdin Scientific in 95% for only $18.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	50907-21-6 \| 5-(4-Fluorophenyl)-1H-tetrazole \| 5-(4-fluorophenyl)-2H-tetrazole \| 5-(4-FLUORO-PHENYL)-2H-TETRAZOLE \| 5-(4-fluorophenyl)-1H-1,2,3,4-tetrazole \| 4-fluorophenyl tetrazole \| Cambridge id 5612113 \| 5-(4-fluorophenyl)tetrazole \| SCHEMBL705663 \| DTXSID20354193 \| DTAO
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	Fluorobenzenes Aryl fluorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenyltetrazole - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azacycle - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - 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

Names and Identifiers

Pubchem Sid	488191449
IUPAC Name	5-(4-fluorophenyl)-2H-tetrazole
INCHI	InChI=1S/C7H5FN4/c8-6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
InChIKey	DTAOERLWDORJFR-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1C2=NNN=N2)F
Isomeric SMILES	C1=CC(=CC=C1C2=NNN=N2)F
Molecular Weight	164.14
Reaxy-Rn	1104438
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1104438&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
D2318303	Certificate of Analysis	Mar 11, 2023	B301269
D2318231	Certificate of Analysis	Mar 11, 2023	B301269
D2318234	Certificate of Analysis	Mar 11, 2023	B301269
D2318739	Certificate of Analysis	Mar 11, 2023	B301269
D2318726	Certificate of Analysis	Mar 11, 2023	B301269
D2318737	Certificate of Analysis	Mar 11, 2023	B301269

Chemical and Physical Properties

Melt Point(°C)	180 °C
Molecular Weight	164.140 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	164.05 Da
Monoisotopic Mass	164.05 Da
Topological Polar Surface Area	54.500 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	146.000
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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