3-Bromodibenzo[b,d]thiophene

Name: 3-Bromodibenzo[b,d]thiophene
Brand: ChemScene
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CAS No. 97511-04-1
Cat. No. CS-0155956
Purity≥98%
MDL No.MFCD11052997

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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 97511-04-1

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General Information

CAS No. 97511-04-1
Cat. No. CS-0155956
Purity ≥98%
MDL No. MFCD11052997
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₂H₇BrS
Molecular Weight 263.15
Synonym(s) 3-bromoDibenzothiophene
SMILES C1=CC=C2C(=C1)C3=C(C=C(C=C3)Br)S2

Description

3-Bromodibenzo[b,d]thiophene serves as a key building block in the synthesis of functional organic semiconductors and materials for optoelectronic applications. This brominated heterocycle features a sterically accessible site for palladium-catalyzed cross-coupling reactions, enabling efficient integration into conjugated molecular architectures under standard conditions.

Application

3-Bromodibenzo[b,d]thiophene serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions for the construction of biaryl and heteroaryl scaffolds. Its bromine substituent offers high reactivity in standard Suzuki, Stille, and Negishi couplings, while the dibenzo[b,d]thiophene core provides excellent bench stability and compatibility with diverse functional groups.

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 0
LogP 4.817
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Aromatic heterocycle compounds Benzothiophene compounds

Material Science Material Building Blocks Small Molecule Semiconductor Building Blocks Benzothiophenes

Key Words

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3-Bromodibenzo[b,d]thiophene

CAS No. 97511-04-1

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