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Ethyl 3-bromo-1H-pyrazole-4-carboxylate - 98%, high purity , CAS No.1353100-91-0

COA

Grade & Purity:

≥98%

Cas Number: 1353100-91-0
Molecular Weight: 219.04
PubChem CID: 56956181
PubChem SID: 488201791

In stock

Item Number

E181256

Grouped product items
SKU	Size	Availability	Price
E181256-250mg	250mg	3	$10.90
E181256-1g	1g	3	$32.90
E181256-5g	5g	2	$136.90
E181256-25g	25g	1	$614.90

Discover Ethyl 3-bromo-1H-pyrazole-4-carboxylate by Aladdin Scientific in 98% for only $10.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	Ethyl 3-bromo-1H-pyrazole-4-carboxylate \| 1353100-91-0 \| ethyl 5-bromo-1H-pyrazole-4-carboxylate \| 1-H-pyrazole-4-carboxylic acid,3-broMo,ethyl ester \| MFCD12032195 \| Ethyl 3-Bromopyrazole-4-carboxylate \| SCHEMBL370881 \| SCHEMBL15655280 \| DTXSID20719102 \| HMONTLMXUZERMC-UH
Specifications & Purity	≥98%
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 bromides Vinylogous halides Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrazole-4-carboxylic acid or derivatives - Aryl bromide - Aryl halide - Vinylogous halide - Vinylogous amide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - 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

Pubchem Sid	488201791
IUPAC Name	ethyl 5-bromo-1H-pyrazole-4-carboxylate
INCHI	InChI=1S/C6H7BrN2O2/c1-2-11-6(10)4-3-8-9-5(4)7/h3H,2H2,1H3,(H,8,9)
InChIKey	HMONTLMXUZERMC-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=C(NN=C1)Br
Isomeric SMILES	CCOC(=O)C1=C(NN=C1)Br
Molecular Weight	219.04
Reaxy-Rn	22218467
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22218467&ln=

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

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8 results found

Lot Number	Certificate Type	Date	Item
D2315672	Certificate of Analysis	Mar 09, 2023	E181256
D2315667	Certificate of Analysis	Mar 09, 2023	E181256
D2317224	Certificate of Analysis	Mar 09, 2023	E181256
D2315651	Certificate of Analysis	Mar 09, 2023	E181256
D2315655	Certificate of Analysis	Mar 09, 2023	E181256
D2315649	Certificate of Analysis	Mar 09, 2023	E181256
D2315660	Certificate of Analysis	Mar 09, 2023	E181256
D2317232	Certificate of Analysis	Mar 09, 2023	E181256

Chemical and Physical Properties

Molecular Weight	219.040 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	217.969 Da
Monoisotopic Mass	217.969 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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