5-Chloro-1,3-benzodioxole

Name: 5-Chloro-1,3-benzodioxole
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CAS No. 7228-38-8
Cat. No. CS-0015073
Molecule weight156.57
Purity≥97%
MDL No.MFCD00010842

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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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General Information

CAS No. 7228-38-8
Cat. No. CS-0015073
Purity ≥97%
MDL No. MFCD00010842
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅ClO₂
Molecular Weight 156.57
Synonym(s) (2E)-4-amino-2-imino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1(2H)-ol
SMILES ClC1=CC=C(OCO2)C2=C1

Description

5-Chloro-1,3-benzodioxole is a chlorinated benzodioxole scaffold featuring a chlorine substituent at the 5-position. This electron-deficient aromatic system enhances reactivity in transition metal-catalyzed couplings and serves as a key building block in pharmaceutical synthesis. The molecule exhibits robust stability under standard bench conditions and integrates readily into complex heterocyclic architectures.

Application

5-Chloro-1,3-benzodioxole serves as a valuable synthetic building block in medicinal chemistry, offering a stable, electron-deficient aromatic core with orthogonal functionalization potential. Its chloro substituent enables palladium-catalyzed cross-coupling reactions, while the 1,3-benzodioxole moiety provides metabolic stability and favorable pharmacokinetic properties. The compound exhibits excellent bench stability, ease of purification, and compatibility with standard reaction conditions, facilitating efficient integration 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 18.46
LogP 2.0687
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Benzodioxolane compounds

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5-Chloro-1,3-benzodioxole

CAS No. 7228-38-8

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