5-Bromo-1H-pyrrole-3-carbaldehyde

Name: 5-Bromo-1H-pyrrole-3-carbaldehyde
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CAS No. 881676-32-0
Cat. No. CS-0060104
Purity≥96%
MDL No.MFCD11875943

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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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5-Bromo-1H-pyrrole-3-carbaldehyde|CS-0060104

Structure of 881676-32-0

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General Information

CAS No. 881676-32-0
Cat. No. CS-0060104
Purity ≥96%
MDL No. MFCD11875943
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₄BrNO
Molecular Weight None
Synonym(s) 1H-Pyrrole-3-carboxaldehyde, 5-bromo-
SMILES C1=C(Br)NC=C1C=O

Description

5-Bromo-1H-pyrrole-3-carbaldehyde delivers a reactive aldehyde group flanked by a bromine atom at the 5-position, enabling direct functionalization in cross-coupling and electrophilic substitution. This electron-deficient heterocycle integrates readily into complex molecular architectures under standard conditions.

Application

5-Bromo-1H-pyrrole-3-carbaldehyde serves as a versatile building block in heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions due to its dual reactive sites: the bromine at C5 and the aldehyde at C3. The aldehyde group facilitates nucleophilic additions and condensation reactions, while the pyrrole ring provides inherent electron-rich character for electrophilic functionalization. Bench-stable and compatible with standard purification methods, it functions effectively in medicinal chemistry campaigns requiring direct access to substituted pyrrole scaffolds.

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 32.86
LogP 1.5897
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Pyrrole compounds

Key Words

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5-Bromo-1H-pyrrole-3-carbaldehyde

CAS No. 881676-32-0

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