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Ethyl 5-chloro-1H-pyrazole-4-carboxylate - 97%, high purity , CAS No.1393667-83-8

COA

Grade & Purity:

≥97%

Cas Number: 1393667-83-8
Molecular Weight: 174.58
PubChem CID: 24728616

In stock

Item Number

E587140

Grouped product items
SKU	Size	Availability	Price
E587140-100mg	100mg	3	$28.90
E587140-250mg	250mg	3	$58.90
E587140-1g	1g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$192.90
E587140-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$864.90

Basic Description

Synonyms	DTXSID70646439 \| Ethyl 5-chloropyrazole-4-carboxylate \| FT-0742130 \| ethyl3-chloro-1H-pyrazole-4-carboxylate \| SY116673 \| MFCD08689931 \| 1393667-83-8 \| 3-Chloro-1H-pyrazole-4-carboxylic acid ethyl ester \| SCHEMBL20303941 \| ethyl 3-chloro-1H-pyrazole-4-car
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,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 Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrazole-4-carboxylic acid or derivatives - Aryl chloride - Aryl halide - Vinylogous halide - Vinylogous amide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - 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	ethyl 5-chloro-1H-pyrazole-4-carboxylate
INCHI	InChI=1S/C6H7ClN2O2/c1-2-11-6(10)4-3-8-9-5(4)7/h3H,2H2,1H3,(H,8,9)
InChIKey	WNRMFDPBDDKWFD-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=C(NN=C1)Cl
Isomeric SMILES	CCOC(=O)C1=C(NN=C1)Cl
Alternate CAS	948552-01-0
Molecular Weight	174.58
Reaxy-Rn	38112669
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38112669&ln=

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

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

Analytical Chart:

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4 results found

Lot Number	Certificate Type	Date	Item
H2330320	Certificate of Analysis	Aug 17, 2023	E587140
H2330319	Certificate of Analysis	Aug 17, 2023	E587140
H2330412	Certificate of Analysis	Aug 17, 2023	E587140
H2330413	Certificate of Analysis	Aug 17, 2023	E587140

Chemical and Physical Properties

Molecular Weight	174.580 g/mol
XLogP3	1.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	174.02 Da
Monoisotopic Mass	174.02 Da
Topological Polar Surface Area	55.000 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	154.000
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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