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methyl 4-chloro-1H-pyrazole-5-carboxylate - 97%, high purity , CAS No.1005584-90-6

COA

Grade & Purity:

≥97%

Cas Number: 1005584-90-6
Molecular Weight: 160.56
MDL number: MFCD04969136
PubChem CID: 7147513

In stock

Item Number

M635406

Grouped product items
SKU	Size	Availability	Price
M635406-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$13.90
M635406-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$25.90
M635406-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$33.90
M635406-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$107.90

View related series

Aromatic heterocyclic compounds (462) Halogenated heterocyclic block (1171) Pyrazole compounds (95)

Basic Description

Synonyms	MFCD14702903 \| A910824 \| CS-0034334 \| 1005584-90-6 \| SCHEMBL16427401 \| EN300-229331 \| 4-Chloro-2H-pyrazole-3-carboxylic acid methyl ester \| methyl 4-chloropyrazole-3-carboxylate \| MFCD04969136 \| STK312909 \| AKOS006346520 \| SCHEMBL983024 \| methyl 4-chloro-
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Protected from light,Argon charged
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	Aryl chlorides Vinylogous halides Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Aryl chloride - Aryl halide - Heteroaromatic compound - Methyl ester - Vinylogous halide - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen 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 4-chloro-1H-pyrazole-5-carboxylate
INCHI	InChI=1S/C5H5ClN2O2/c1-10-5(9)4-3(6)2-7-8-4/h2H,1H3,(H,7,8)
InChIKey	AQUQWWCPNUDMIX-UHFFFAOYSA-N
Smiles	COC(=O)C1=C(C=NN1)Cl
Isomeric SMILES	COC(=O)C1=C(C=NN1)Cl
Alternate CAS	1005584-90-6
PubChem CID	7147513
Molecular Weight	160.56

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

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

Analytical Chart:

Chemical and Physical Properties

Sensitivity	light & heat & air sensitive
Molecular Weight	160.560 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	160.004 Da
Monoisotopic Mass	160.004 Da
Topological Polar Surface Area	55.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	142.000
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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