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3-Methyl-1-phenyl-1H-pyrazole-4-carboxaldehyde - 97%, high purity , CAS No.21487-48-9

COA

Grade & Purity:

≥97%

Cas Number: 21487-48-9
Molecular Weight: 186.21
MDL number: MFCD02705915
PubChem CID: 848884

In stock

Item Number

M168595

Grouped product items
SKU	Size	Availability	Price
M168595-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$23.90
M168595-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$90.90
M168595-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$408.90

Discover 3-Methyl-1-phenyl-1H-pyrazole-4-carboxaldehyde by Aladdin Scientific in 97% for only $23.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	A879059 \| 3-Methyl-1-phenyl-1H-pyrazole-4-carboxaldehyde \| 3-Methyl-1-phenyl-1H-pyrazole-4-carboxaldehyde,97% \| FS-5550 \| CVCOOKQWHMGEDQ-UHFFFAOYSA-N \| AKOS002662944 \| SCHEMBL719535 \| Z56787653 \| DTXSID40357267 \| 1-phenyl-3-methyl-1H-4-pyrazolylformaldehy
Specifications & Purity	≥97%
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	Aryl-aldehydes Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpyrazole - Aryl-aldehyde - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Heteroaromatic compound - Azacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen 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

IUPAC Name	3-methyl-1-phenylpyrazole-4-carbaldehyde
INCHI	InChI=1S/C11H10N2O/c1-9-10(8-14)7-13(12-9)11-5-3-2-4-6-11/h2-8H,1H3
InChIKey	CVCOOKQWHMGEDQ-UHFFFAOYSA-N
Smiles	CC1=NN(C=C1C=O)C2=CC=CC=C2
Isomeric SMILES	CC1=NN(C=C1C=O)C2=CC=CC=C2
WGK Germany	3
Molecular Weight	186.21
Reaxy-Rn	778034
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=778034&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	57-61 °C
Molecular Weight	186.210 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	186.079 Da
Monoisotopic Mass	186.079 Da
Topological Polar Surface Area	34.900 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	201.000
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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