2-Amino-3,5-dichlorobenzonitrile

Name: 2-Amino-3,5-dichlorobenzonitrile
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CAS No. 36764-94-0
Cat. No. CS-0096875
Purity≥98%
MDL No.MFCD00158947

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FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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2-Amino-3,5-dichlorobenzonitrile|CS-0096875

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General Information

CAS No. 36764-94-0
Cat. No. CS-0096875
Purity ≥98%
MDL No. MFCD00158947
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₄Cl₂N₂
Molecular Weight 187.03
Synonym(s) 3,5-Dichloroanthranilonitrile
SMILES N#CC1=CC(Cl)=CC(Cl)=C1N

Description

2-Amino-3,5-dichlorobenzonitrile features a benzene ring bearing electron-withdrawing nitrile and chlorine substituents flanking an amino group, enabling its use in constructing heterocyclic scaffolds. This bench-stable derivative integrates readily into coupling reactions, offering high reactivity under standard conditions.

Application

2-Amino-3,5-dichlorobenzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis. The ortho-amino and nitrile groups enable sequential functionalization via amidation, cyclization, or electrophilic substitution, while the dichloro substituents provide sites for palladium-catalyzed coupling reactions. Its bench-stable crystalline form facilitates handling and purification, making it well-suited for multi-step synthetic sequences requiring robust reactivity and compatibility with diverse reaction conditions.

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-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

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Computational Chemistry Data

TPSA 49.81
LogP 2.44728
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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2-Amino-3,5-dichlorobenzonitrile

CAS No. 36764-94-0

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