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1-methyl-1H-pyrazole-4-carbonitrile - 97%, high purity , CAS No.66121-71-9

COA

Grade & Purity:

≥97%

Cas Number: 66121-71-9
Molecular Weight: 107.11
PubChem CID: 12747521
PubChem SID: 488198241

In stock

Item Number

M177097

Grouped product items
SKU	Size	Availability	Price
M177097-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$203.90
M177097-1g	1g	3	$29.90
M177097-250mg	250mg	3	$14.90
M177097-25g	25g	2	$338.90
M177097-5g	5g	5	$113.90

Basic Description

Synonyms	1-methyl-1H-pyrazole-4-carbonitrile \| 66121-71-9 \| 4-Cyano-1-methylpyrazole \| 1-methylpyrazole-4-carbonitrile \| MFCD04969704 \| 1H-Pyrazole-4-carbonitrile, 1-methyl- \| 1-methyl-4-cyanopyrazole \| SCHEMBL945086 \| DTXSID10508789 \| NIBQNKBEGIMBSV-UHFFFAOYSA-N \| AMY10140 \| BBL039935
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	Pyrazoles
Alternative Parents	Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Heteroaromatic compound - Pyrazole - 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 pyrazoles. These are compounds containing a pyrazole ring, which is a five-member aromatic ring with two nitrogen atoms (at positions 1 and 2) and three carbon atoms.
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	488198241
IUPAC Name	1-methylpyrazole-4-carbonitrile
INCHI	InChI=1S/C5H5N3/c1-8-4-5(2-6)3-7-8/h3-4H,1H3
InChIKey	NIBQNKBEGIMBSV-UHFFFAOYSA-N
Smiles	CN1C=C(C=N1)C#N
Isomeric SMILES	CN1C=C(C=N1)C#N
Molecular Weight	107.11
Reaxy-Rn	636451
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636451&ln=

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
F2312267	Certificate of Analysis	May 16, 2023	M177097
F2312356	Certificate of Analysis	May 16, 2023	M177097
F2312261	Certificate of Analysis	May 16, 2023	M177097
F2312268	Certificate of Analysis	May 16, 2023	M177097
F2312259	Certificate of Analysis	May 16, 2023	M177097
F2312269	Certificate of Analysis	May 16, 2023	M177097
F2312254	Certificate of Analysis	May 16, 2023	M177097
F2312255	Certificate of Analysis	May 16, 2023	M177097

Chemical and Physical Properties

Molecular Weight	107.110 g/mol
XLogP3	0.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	107.048 Da
Monoisotopic Mass	107.048 Da
Topological Polar Surface Area	41.600 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	123.000
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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