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Methyl 1H-pyrazole-3-carboxylate - 98%, high purity , CAS No.15366-34-4

COA

Grade & Purity:

≥98%

Cas Number: 15366-34-4
Molecular Weight: 126.11
MDL number: MFCD00649381
PubChem CID: 565662

In stock

Item Number

M472757

Grouped product items
SKU	Size	Availability	Price
M472757-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$206.90
M472757-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$687.90
M472757-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,747.90

Basic Description

Synonyms	Methyl 1H-pyrazole-3-carboxylate \| 15366-34-4 \| methyl 1h-pyrazole-5-carboxylate \| 1H-Pyrazole-3-carboxylic acid methyl ester \| methyl pyrazole-3-carboxylate \| 2H-Pyrazole-3-carboxylic acid methyl ester \| 394658-31-2 \| C5H6N2O2 \| 3-Methoxycarbonylpyrazole \| 4-Pyrazolecarbo
Specifications & Purity	≥98%
Storage Temp	Argon charged
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	Pyrazole carboxylic acids and derivatives
Alternative Parents	Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen 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 1H-pyrazole-5-carboxylate
INCHI	InChI=1S/C5H6N2O2/c1-9-5(8)4-2-3-6-7-4/h2-3H,1H3,(H,6,7)
InChIKey	ORUCTBNNYKZMSK-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC=NN1
Isomeric SMILES	COC(=O)C1=CC=NN1
Molecular Weight	126.11
Reaxy-Rn	636866
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636866&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	Soluble in methanol.
Sensitivity	Air sensitive
Melt Point(°C)	141-143°C
Molecular Weight	126.110 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	126.043 Da
Monoisotopic Mass	126.043 Da
Topological Polar Surface Area	55.000 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	116.000
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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