4-Bromo-6-fluoropyrimidine

Name: 4-Bromo-6-fluoropyrimidine
Brand: ChemScene
Availability: InStock
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CAS No. 1209458-29-6
Cat. No. CS-0490633
Molecule weight176.97
Purity≥97%
MDL No.MFCD14702771

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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Structure of 1209458-29-6

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General Information

CAS No. 1209458-29-6
Cat. No. CS-0490633
Purity ≥97%
MDL No. MFCD14702771
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₄H₂BrFN₂
Molecular Weight 176.97
Synonym(s) None
SMILES FC1=CC(Br)=NC=N1

Description

4-Bromo-6-fluoropyrimidine is a halogenated pyrimidine scaffold featuring complementary electrophilic and nucleophilic handles. This electron-deficient heterocycle enables direct functionalization in cross-coupling and nucleophilic substitution reactions. The strategic placement of bromo and fluoro groups facilitates sequential derivatization, offering a streamlined route to substituted pyrimidines for medicinal chemistry and agrochemical applications.

Application

4-Bromo-6-fluoropyrimidine serves as a versatile building block in medicinal chemistry, enabling efficient late-stage functionalization via palladium-catalyzed cross-coupling reactions. Its orthogonal halogen reactivity facilitates sequential derivatization, while the fluorine substituent enhances metabolic stability and modulates electronic properties. The compound exhibits excellent bench stability and is readily purified by standard techniques, making it well-suited for scalable synthesis of pyrimidine-based pharmaceutical intermediates.

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 25.78
LogP 1.3782
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Key Words

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4-Bromo-6-fluoropyrimidine

CAS No. 1209458-29-6

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