3,5-Dichlorobenzonitrile

Name: 3,5-Dichlorobenzonitrile
Brand: ChemScene
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CAS No. 6575-00-4
Cat. No. CS-W017636
Purity≥98%
MDL No.MFCD00001800

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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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Description

3,5-Dichlorobenzonitrile features a benzonitrile core substituted with chlorine atoms at the 3 and 5 positions, delivering enhanced electron-withdrawal and steric shielding. This configuration imparts stability and facilitates selective functionalization in cross-coupling reactions. The nitrile group enables downstream derivatization to carboxylic acids or amides, making this compound a valuable scaffold for medicinal chemistry and materials synthesis under standard conditions.

Application

3,5-Dichlorobenzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to substituted aromatic scaffolds. Its dual electron-withdrawing chloro groups enhance electrophilicity at the ring, facilitating nucleophilic aromatic substitution and transition-metal-catalyzed coupling reactions. The nitrile functionality provides a handle for downstream transformations, including hydrolysis to carboxylic acids or reduction to primary amines. Bench-stable and readily purified by recrystallization, it functions reliably in standard synthetic workflows.

General Information

CAS No. 6575-00-4
Cat. No. CS-W017636
Purity ≥98%
MDL No. MFCD00001800
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃Cl₂N
Molecular Weight 172.01
Synonym(s) Benzonitrile, 3,5-dichloro-
SMILES N#CC1=CC(Cl)=CC(Cl)=C1

Computational Chemistry Data

TPSA 23.79
LogP 2.86508
H_Acceptors 1
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-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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3,5-Dichlorobenzonitrile

CAS No. 6575-00-4

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