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1-Benzyl-4-bromo-5-methyl-1H-pyrazole-3-carbonitrile - ≥98%, high purity , CAS No.863752-24-3

COA

Grade & Purity:

≥98%

Cas Number: 863752-24-3
Molecular Weight: 276.14
PubChem CID: 66958639

In stock

Item Number

B734626

Grouped product items
SKU	Size	Availability	Price
B734626-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$526.90
B734626-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$789.90
B734626-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,549.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Class Aryl halides
    - Subclass Aryl bromides

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Aryl halides
Subclass	Aryl bromides
Intermediate Tree Nodes	Not available
Direct Parent	Aryl bromides
Alternative Parents	Benzene and substituted derivatives Pyrazoles Heteroaromatic compounds Nitriles Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl bromide - Monocyclic benzene moiety - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Nitrile - Carbonitrile - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organobromide - Cyanide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl bromides. These are organic compounds containing the acyl bromide functional 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

IUPAC Name	1-benzyl-4-bromo-5-methylpyrazole-3-carbonitrile
INCHI	InChI=1S/C12H10BrN3/c1-9-12(13)11(7-14)15-16(9)8-10-5-3-2-4-6-10/h2-6H,8H2,1H3
InChIKey	UFINPHAPQHXREE-UHFFFAOYSA-N
Smiles	CC1=C(C(=NN1CC2=CC=CC=C2)C#N)Br
Isomeric SMILES	CC1=C(C(=NN1CC2=CC=CC=C2)C#N)Br
PubChem CID	66958639
Molecular Weight	276.14

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	276.130 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	275.006 Da
Monoisotopic Mass	275.006 Da
Topological Polar Surface Area	41.600 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	279.000
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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