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5-Bromo-4-isopentylpyrimidine - 98%, high purity , CAS No.951884-42-7

COA

Grade & Purity:

≥98%

Cas Number: 951884-42-7
Molecular Weight: 229.1
PubChem CID: 26370004

In stock

Item Number

B188600

Grouped product items
SKU	Size	Availability	Price	Qty
B188600-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$413.90

Basic Description

Synonyms	5-Bromo-4-isopentylpyrimidine \| 951884-42-7 \| 5-Bromo-4-(3-methylbutyl)pyrimidine \| 5-bromo-4-isopentyl-pyrimidine \| DTXSID50650039 \| BNB88442 \| MFCD09800938 \| AKOS015834355 \| SB58487 \| 5-bromanyl-4-(3-methylbutyl)pyrimidine \| BS-23358 \| CS-0210980 \| A845222 \| J-517092
Specifications & Purity	≥98%
Storage Temp	Room temperature
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 bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Halopyrimidine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - 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	5-bromo-4-(3-methylbutyl)pyrimidine
INCHI	InChI=1S/C9H13BrN2/c1-7(2)3-4-9-8(10)5-11-6-12-9/h5-7H,3-4H2,1-2H3
InChIKey	KCNXLDSTEUTQCO-UHFFFAOYSA-N
Smiles	CC(C)CCC1=NC=NC=C1Br
Isomeric SMILES	CC(C)CCC1=NC=NC=C1Br
PubChem CID	26370004
Molecular Weight	229.1

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	229.120 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	228.026 Da
Monoisotopic Mass	228.026 Da
Topological Polar Surface Area	25.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	128.000
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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