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methyl 5-chlorosulfonyl-2-methyl-pyrazole-3-carboxylate - 97%, high purity , CAS No.1122567-32-1

COA

Grade & Purity:

≥97%

Cas Number: 1122567-32-1
Molecular Weight: 238.65
EC Number: 831-461-3
MDL number: MFCD19201260
PubChem CID: 55280061

In stock

Item Number

M626918

Grouped product items
SKU	Size	Availability	Price
M626918-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$324.90
M626918-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$501.90
M626918-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,001.90

Basic Description

Synonyms	1122567-32-1 \| F86138 \| SCHEMBL19508022 \| AKOS006335205 \| EN300-78828 \| methyl 5-chlorosulfonyl-2-methyl-pyrazole-3-carboxylate \| methyl 5-chlorosulfonyl-2-methylpyrazole-3-carboxylate \| CS-0499012 \| methyl 3-(chlorosulfonyl)-1-methyl-1H-pyrazole-5-carbox
Specifications & Purity	≥97%
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	Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Methyl esters Heteroaromatic compounds Azacyclic 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 - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Sulfonyl - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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 5-chlorosulfonyl-2-methylpyrazole-3-carboxylate
INCHI	InChI=1S/C6H7ClN2O4S/c1-9-4(6(10)13-2)3-5(8-9)14(7,11)12/h3H,1-2H3
InChIKey	VPCXPKBLPDHQFZ-UHFFFAOYSA-N
Smiles	CN1C(=CC(=N1)S(=O)(=O)Cl)C(=O)OC
Isomeric SMILES	CN1C(=CC(=N1)S(=O)(=O)Cl)C(=O)OC
Alternate CAS	1122567-32-1
PubChem CID	55280061
Molecular Weight	238.65

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	238.650 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	237.982 Da
Monoisotopic Mass	237.982 Da
Topological Polar Surface Area	86.600 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	325.000
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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