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1-benzyl-3-methyl-pyrazole - 97%, high purity , CAS No.73882-45-8

COA

Grade & Purity:

≥97%

Cas Number: 73882-45-8
Molecular Weight: 172.23
PubChem CID: 10419637

In stock

Item Number

B638354

Grouped product items
SKU	Size	Availability	Price	Qty
B638354-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$437.90

Basic Description

Synonyms	1-Benzyl-3-methyl-1H-pyrazole \| 1-benzyl-3-methyl-pyrazole \| 73882-45-8 \| SCHEMBL10247346 \| MFCD20329414 \| AKOS013774987 \| PB43381 \| P19566
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Benzene and substituted derivatives
Alternative Parents	Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Monocyclic benzene moiety - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
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-3-methylpyrazole
INCHI	InChI=1S/C11H12N2/c1-10-7-8-13(12-10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKey	PFUAZMMGWCSYPQ-UHFFFAOYSA-N
Smiles	CC1=NN(C=C1)CC2=CC=CC=C2
Isomeric SMILES	CC1=NN(C=C1)CC2=CC=CC=C2
PubChem CID	10419637
Molecular Weight	172.23

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	172.230 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	172.1 Da
Monoisotopic Mass	172.1 Da
Topological Polar Surface Area	17.800 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	152.000
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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