3,4-Benzocoumarin

Name: 3,4-Benzocoumarin
Brand: ChemScene
Availability: InStock
Rating: 5 (1 reviews)

CAS No. 2005-10-9
Cat. No. CS-0033870
Purity≥98%
MDL No.MFCD00027376

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HazMat Fee

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The shipment is processed through FedEx Ground under the Limited Quantity option.

Each bottle is packed as an Excepted Quantity, with a maximum of 1g for items in class 6.1 packing group I or II, and up to 25g for all other hazardous materials.

If shipping is charged to your FedEx account, the HazMat fee will be billed directly by the courier. Otherwise, the fee will be included on your invoice. To help you avoid the HazMat fee, we can package a 5g order of a class 6.1 packing group I or II material as five separate 1g units, and a 100g order of any other dangerous good as four 25g units. This packaging adjustment will be made unless you instruct otherwise on your purchase order. Below, you will find the fee schedule from FedEx for handling hazardous materials.

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+

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

There is a HazMat shipping fee for each item that qualifies as a dangerous good. Please contact our quotation team via email to confirm the details.

*For research and further manufacturing use only, not for direct human use.

Structure of 2005-10-9

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Description

3,4-Benzocoumarin is a fused polycyclic scaffold integrating coumarin’s electron-rich heteroaromatic core with a benzene ring, enhancing planarity and π-conjugation. This structural feature enables robust fluorescence and facilitates use in photophysical studies, organic optoelectronics, and as a building block for bioactive molecules.

Application

3,4-Benzocoumarin serves as a versatile scaffold in synthetic organic chemistry, enabling efficient access to fused heterocyclic systems through well-established cyclization and functionalization pathways. Its inherent stability and defined reactivity profile facilitate straightforward derivatization at the 3- and 4-positions, supporting applications in medicinal chemistry lead optimization and materials science.

General Information

CAS No. 2005-10-9
Cat. No. CS-0033870
Purity ≥98%
MDL No. MFCD00027376
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₃H₈O₂
Molecular Weight 196.21
Synonym(s) None
SMILES O=C1C2=CC=CC=C2C3=CC=CC=C3O1

Computational Chemistry Data

TPSA 30.21
LogP 2.9462
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

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-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Other aromatic heterocycles compounds

Biochemistry Biochemicals and Reagents Phenylpropanoids, Aromatic Polyketides Phenylpropanoids

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3,4-Benzocoumarin

CAS No. 2005-10-9

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