2-Bromo-5-methyl-1,3,4-oxadiazole

Name: 2-Bromo-5-methyl-1,3,4-oxadiazole
Brand: ChemScene
Availability: InStock
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CAS No. 864750-58-3
Cat. No. CS-0079631
Purity≥95%
MDL No.MFCD12027126

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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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2-Bromo-5-methyl-1,3,4-oxadiazole|CS-0079631

Structure of 864750-58-3

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General Information

CAS No. 864750-58-3
Cat. No. CS-0079631
Purity ≥95%
MDL No. MFCD12027126
Storage -20°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₃H₃BrN₂O
Molecular Weight 162.97
Synonym(s) None
SMILES BrC1=NN=C(O1)C

Description

2-Bromo-5-methyl-1,3,4-oxadiazole features a brominated heterocyclic core that enables direct functionalization in cross-coupling reactions. The methyl group enhances solubility and stability under standard conditions, while the oxadiazole ring provides a rigid, electron-deficient scaffold ideal for constructing bioactive molecules and advanced materials.

Application

2-Bromo-5-methyl-1,3,4-oxadiazole serves as a versatile heterocyclic building block in medicinal chemistry and synthetic organic chemistry. Its bromine substituent enables facile palladium-catalyzed cross-coupling reactions, while the 1,3,4-oxadiazole core offers metabolic stability and favorable polarity. The molecule exhibits good bench stability and compatibility with diverse functional groups, facilitating efficient incorporation into complex molecular architectures.

Safety Information

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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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 38.92
LogP 1.14052
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Oxadiazole compounds

Key Words

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2-Bromo-5-methyl-1,3,4-oxadiazole

CAS No. 864750-58-3

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