3-Chloro-4-nitroaniline

Name: 3-Chloro-4-nitroaniline
Brand: ChemScene
Availability: InStock
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CAS No. 825-41-2
Cat. No. CS-0094684
Purity≥98%
MDL No.MFCD00085922

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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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Structure of 825-41-2

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Description

3-Chloro-4-nitroaniline features a chlorinated aromatic ring paired with electron-withdrawing nitro and amino groups, enabling selective coupling in pharmaceutical intermediates. This ortho-directed scaffold supports efficient derivatization under mild conditions, delivering high functional group tolerance and stability during synthesis workflows.

Application

3-Chloro-4-nitroaniline serves as a versatile intermediate in the synthesis of pharmaceuticals and agrochemicals, enabling efficient construction of substituted heterocycles via coupling reactions. Its dual functional groups—chloro and nitro—facilitate sequential transformations under standard conditions, with the nitro group readily reducible to an amine for further derivatization. The compound exhibits good bench stability and is compatible with common protecting group strategies, making it a practical choice for multi-step syntheses.

General Information

CAS No. 825-41-2
Cat. No. CS-0094684
Purity ≥98%
MDL No. MFCD00085922
Storage RT, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₆H₅ClN₂O₂
Molecular Weight 172.57
Synonym(s) 3-Chloro-4-nitrobenzenamine
SMILES NC1=CC=C([N+]([O-])=O)C(Cl)=C1

Computational Chemistry Data

TPSA 69.16
LogP 1.8304
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 1

Safety Information

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GHS Pictogram :	GHS No : GHS06,GHS08,GHS09
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H300+H310+H330-H315-H319-H373-H411
Precautionary Statements : P260-P262-P264-P270-P271-P273-P280-P284-P302+P352-P304+P340-P330-P361+P364-P362+P364-P391-P405-P501

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Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Chloro-4-nitroaniline

CAS No. 825-41-2

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