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Methyl 1-methyl-1H-pyrazole-4-carboxylate - 98%, high purity , CAS No.5952-93-2

COA

Grade & Purity:

≥98%

Cas Number: 5952-93-2
Molecular Weight: 140.14
PubChem CID: 10130004

In stock

Item Number

M194109

Grouped product items
SKU	Size	Availability	Price
M194109-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
M194109-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$22.90
M194109-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$99.90
M194109-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$176.90

View related series

Pyrazole compounds (95)

Basic Description

Synonyms	methyl 1-methyl-1H-pyrazole-4-carboxylate \| 5952-93-2 \| Methyl 1-methylpyrazole-4-carboxylate \| 1-methyl-1H-Pyrazole-4-carboxylic acid methyl ester \| MFCD11053755 \| 1H-Pyrazole-4-carboxylic acid, 1-methyl-, methyl ester \| SCHEMBL1493312 \| DTXSID20435931 \| HGQQQXMARFJNCP-
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

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	Pyrazole carboxylic acids and derivatives
Alternative Parents	Vinylogous amides Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrazole-4-carboxylic acid or derivatives - Heteroaromatic compound - Vinylogous amide - Methyl ester - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrazole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrazole ring in which a hydrogen atom is replaced by a carboxylic acid 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	methyl 1-methylpyrazole-4-carboxylate
INCHI	InChI=1S/C6H8N2O2/c1-8-4-5(3-7-8)6(9)10-2/h3-4H,1-2H3
InChIKey	HGQQQXMARFJNCP-UHFFFAOYSA-N
Smiles	CN1C=C(C=N1)C(=O)OC
Isomeric SMILES	CN1C=C(C=N1)C(=O)OC
Molecular Weight	140.14
Reaxy-Rn	742876
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=742876&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	140.140 g/mol
XLogP3	0.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	140.059 Da
Monoisotopic Mass	140.059 Da
Topological Polar Surface Area	44.100 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	138.000
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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