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Ethyl 5-bromo-1H-pyrazole-3-carboxylate - 98%, high purity , CAS No.1392208-46-6

COA

Grade & Purity:

≥98%

Cas Number: 1392208-46-6
Molecular Weight: 219.04
PubChem CID: 56956185

In stock

Item Number

E190807

Grouped product items
SKU	Size	Availability	Price
E190807-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$25.90
E190807-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$42.90
E190807-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$87.90
E190807-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$192.90

Discover Ethyl 5-bromo-1H-pyrazole-3-carboxylate by Aladdin Scientific in 98% for only $25.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	ethyl 5-bromo-1H-pyrazole-3-carboxylate \| 1392208-46-6 \| Ethyl 3-bromo-1H-pyrazole-5-carboxylate \| 1886994-07-5 \| MFCD20275526 \| 1H-Pyrazole-3-carboxylic acid, 5-bromo-, ethyl ester \| 1H-Pyrazole-5-carboxylic acid, 3-bromo-, ethyl ester \| SCHEMBL17593138 \| DTXSID40719104
Specifications & Purity	≥98%
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	Aryl bromides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Aryl bromide - Aryl halide - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - 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	ethyl 5-bromo-1H-pyrazole-3-carboxylate
INCHI	InChI=1S/C6H7BrN2O2/c1-2-11-6(10)4-3-5(7)9-8-4/h3H,2H2,1H3,(H,8,9)
InChIKey	WTWIBLHEPZYWRK-UHFFFAOYSA-N
Smiles	CCOC(=O)C1=NNC(=C1)Br
Isomeric SMILES	CCOC(=O)C1=NNC(=C1)Br
Molecular Weight	219.04
Reaxy-Rn	32710650
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32710650&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	219.040 g/mol
XLogP3	1.800
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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