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3-bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine - 97%, high purity , CAS No.114040-06-1

COA

Grade & Purity:

≥97%

Cas Number: 114040-06-1
Molecular Weight: 266.91
PubChem CID: 14750355

In stock

Item Number

B626964

Grouped product items
SKU	Size	Availability	Price
B626964-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$19.90
B626964-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$53.90
B626964-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$239.90

View related series

Aromatic heterocyclic compounds (462) Pyrazole compounds (95)

Basic Description

Synonyms	SY032302 \| 3-Bromo-5,7-dichloropyrazolo(1,5-a)pyrimidine \| Pyrazolo[1,5-a]pyrimidine,3-bromo-5,7-dichloro \| 3-bromanyl-5,7-bis(chloranyl)pyrazolo[1,5-a]pyrimidine \| SB10981 \| CJIKMWXLGRVJMI-UHFFFAOYSA-N \| BCP14537 \| SCHEMBL3319549 \| A803125 \| Pyrazolo[1,5
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 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	Halopyrimidines Aryl chlorides Aryl bromides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrazolo[1,5-a]pyrimidine - Halopyrimidine - Aryl bromide - Aryl chloride - Aryl halide - Pyrimidine - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organohalogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organobromide - 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	3-bromo-5,7-dichloropyrazolo[1,5-a]pyrimidine
INCHI	InChI=1S/C6H2BrCl2N3/c7-3-2-10-12-5(9)1-4(8)11-6(3)12/h1-2H
InChIKey	CJIKMWXLGRVJMI-UHFFFAOYSA-N
Smiles	C1=C(N2C(=C(C=N2)Br)N=C1Cl)Cl
Isomeric SMILES	C1=C(N2C(=C(C=N2)Br)N=C1Cl)Cl
Alternate CAS	114040-06-1
PubChem CID	14750355
Molecular Weight	266.91

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	266.910 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	264.881 Da
Monoisotopic Mass	264.881 Da
Topological Polar Surface Area	30.200 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	182.000
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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