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Ethyl 6-bromopyrazolo[1，5-a]pyrimidine-3-carboxylate - ≥95%, high purity , CAS No.1027511-41-6

COA

Grade & Purity:

≥95%

Cas Number: 1027511-41-6
Molecular Weight: 270.08
PubChem CID: 45073325

In stock

Item Number

E732351

Grouped product items
SKU	Size	Availability	Price
E732351-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$59.90
E732351-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$195.90
E732351-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$660.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrazolopyrimidines
    - Subclass Pyrazolo[1,5-a]pyrimidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrazolopyrimidines
Subclass	Pyrazolo[1,5-a]pyrimidines
Intermediate Tree Nodes	Not available
Direct Parent	Pyrazolo[1,5-a]pyrimidines
Alternative Parents	Pyrazole carboxylic acids and derivatives Halopyrimidines Aryl bromides Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrazolo[1,5-a]pyrimidine - Pyrazole-4-carboxylic acid or derivatives - Halopyrimidine - Aryl bromide - Aryl halide - Pyrimidine - Azole - Pyrazole - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrazolo[1,5-a]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to and sharing exactly one nitrogen atom with a pyrimidine ring.
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 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
INCHI	InChI=1S/C9H8BrN3O2/c1-2-15-9(14)7-4-12-13-5-6(10)3-11-8(7)13/h3-5H,2H2,1H3
InChIKey	PZZTXIWJXOMKEU-UHFFFAOYSA-N
Smiles	CCOC(=O)c1cnn2cc(Br)cnc12
Isomeric SMILES	CCOC(=O)C1=C2N=CC(=CN2N=C1)Br
Molecular Weight	270.08

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

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

Analytical Chart:

Chemical and Physical Properties

Melt Point(°C)	144-146 °C
Molecular Weight	270.080 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	268.98 Da
Monoisotopic Mass	268.98 Da
Topological Polar Surface Area	56.500 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	252.000
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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