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4-(4-Bromo-1H-pyrazol-1-yl)-6-chloropyrimidine - 98%, high purity , CAS No.957035-29-9

COA

Grade & Purity:

≥98%

Cas Number: 957035-29-9
Molecular Weight: 259.5
PubChem CID: 26369852

In stock

Item Number

B188721

Grouped product items
SKU	Size	Availability	Price	Qty
B188721-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$310.90
B188721-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,117.90

Discover 4-(4-Bromo-1H-pyrazol-1-yl)-6-chloropyrimidine by Aladdin Scientific in 98% for only $310.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	4-(4-Bromo-1H-pyrazol-1-yl)-6-chloropyrimidine \| 957035-29-9 \| 4-(4-bromopyrazol-1-yl)-6-chloropyrimidine \| DTXSID00649993 \| MFCD09475880 \| AKOS010531321 \| BS-23160 \| 4-(4-bromo-1-pyrazolyl)-6-chloropyrimidine \| CS-0212219 \| 4-(4-bromopyrazol-1-yl)-6-chloro-pyrimidine \| A845
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Halopyrimidines
Alternative Parents	Aryl chlorides Aryl bromides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Halopyrimidine - Aryl halide - Aryl chloride - Aryl bromide - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
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	4-(4-bromopyrazol-1-yl)-6-chloropyrimidine
INCHI	InChI=1S/C7H4BrClN4/c8-5-2-12-13(3-5)7-1-6(9)10-4-11-7/h1-4H
InChIKey	BFFRQSAFKUZCTO-UHFFFAOYSA-N
Smiles	C1=C(N=CN=C1Cl)N2C=C(C=N2)Br
Isomeric SMILES	C1=C(N=CN=C1Cl)N2C=C(C=N2)Br
PubChem CID	26369852
Molecular Weight	259.5

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	259.490 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	257.931 Da
Monoisotopic Mass	257.931 Da
Topological Polar Surface Area	43.600 Å²
Heavy Atom Count	13
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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