2-Chloro-4-cyclopropylaniline

Name: 2-Chloro-4-cyclopropylaniline
Brand: ChemScene
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CAS No. 78242-79-2
Cat. No. CS-0523294
Purity≥98%
MDL No.MFCD14585512

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Type	HazMat Fee
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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+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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2-Chloro-4-cyclopropylaniline|CS-0523294

Structure of 78242-79-2

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General Information

CAS No. 78242-79-2
Cat. No. CS-0523294
Purity ≥98%
MDL No. MFCD14585512
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₁₀ClN
Molecular Weight 167.64
Synonym(s) None
SMILES NC1=CC=C(C2CC2)C=C1Cl

Description

2-Chloro-4-cyclopropylaniline features a cyclopropyl group at the para position, enhancing lipophilicity and metabolic stability. This electron-rich arylamine integrates readily into pharmaceutical scaffolds, offering improved membrane permeability and targeted bioactivity in synthetic intermediates for drug discovery.

Application

2-Chloro-4-cyclopropylaniline serves as a versatile building block in medicinal chemistry, enabling direct incorporation into heterocyclic scaffolds via coupling reactions. Its ortho-chloro substituent facilitates palladium-catalyzed cross-coupling, while the cyclopropyl group provides steric and electronic modulation. The aniline functionality offers facile derivatization for amide formation or electrophilic substitution, supporting rapid analog generation in API development. Bench-stable and readily purified by column chromatography, it functions efficiently in standard synthetic workflows.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 26.02
LogP 2.7996
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Building Blocks Skeleton Fatty ring compounds Cyclopropane compounds

Key Words

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2-Chloro-4-cyclopropylaniline

CAS No. 78242-79-2

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