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1-phenyl-1H-pyrazole-4-carbonitrile - 98%, high purity , CAS No.709-04-6

COA

Grade & Purity:

≥98%

Cas Number: 709-04-6
Molecular Weight: 169.18
PubChem CID: 10909970
PubChem SID: 488196911

In stock

Item Number

P332928

Grouped product items
SKU	Size	Availability	Price
P332928-250mg	250mg	5	$150.90
P332928-1g	1g	5	$540.90
P332928-5g	5g	5	$2,431.90

Discover 1-phenyl-1H-pyrazole-4-carbonitrile by Aladdin Scientific in 98% for only $150.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	QXUOMWCBAUSGQT-UHFFFAOYSA-N \| SY111105 \| BB 0219797 \| 4-Cyano-1-phenylpyrazole, AldrichCPR \| AMY11896 \| EN300-25976 \| SCHEMBL2214866 \| Z220343712 \| 4-Cyano-1-phenylpyrazole \| 1-phenylpyrazole-4-carbonitrile \| DS-6701 \| FT-0755423 \| MFCD08691162 \| DTXSID80
Specifications & Purity	≥98%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Pyrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Pyrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrazoles
Alternative Parents	Benzene and substituted derivatives Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpyrazole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Cyanide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole 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	488196911
IUPAC Name	1-phenylpyrazole-4-carbonitrile
INCHI	InChI=1S/C10H7N3/c11-6-9-7-12-13(8-9)10-4-2-1-3-5-10/h1-5,7-8H
InChIKey	QXUOMWCBAUSGQT-UHFFFAOYSA-N
Smiles	C1=CC=C(C=C1)N2C=C(C=N2)C#N
Isomeric SMILES	C1=CC=C(C=C1)N2C=C(C=N2)C#N
PubChem CID	10909970
Molecular Weight	169.18

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.

6 results found

Lot Number	Certificate Type	Date	Item
D23062024	Certificate of Analysis	Feb 15, 2023	P332928
D23062032	Certificate of Analysis	Feb 15, 2023	P332928
D23062027	Certificate of Analysis	Feb 15, 2023	P332928
D23062031	Certificate of Analysis	Feb 15, 2023	P332928
D23062029	Certificate of Analysis	Feb 15, 2023	P332928
D23062025	Certificate of Analysis	Feb 15, 2023	P332928

Chemical and Physical Properties

Molecular Weight	169.180 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	169.064 Da
Monoisotopic Mass	169.064 Da
Topological Polar Surface Area	41.600 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	211.000
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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