3-Amino-4-chlorobenzonitrile

Name: 3-Amino-4-chlorobenzonitrile
Brand: ChemScene
Availability: InStock
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CAS No. 53312-79-1
Cat. No. CS-W016292
Purity≥98%
MDL No.MFCD00017089

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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 53312-79-1

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General Information

CAS No. 53312-79-1
Cat. No. CS-W016292
Purity ≥98%
MDL No. MFCD00017089
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅ClN₂
Molecular Weight 152.58
Synonym(s) 2-Chloro-5-cyanoaniline
SMILES C1=C(C=CC(=C1N)Cl)C#N

Application

3-Amino-4-chlorobenzonitrile serves as a versatile building block in medicinal chemistry, enabling direct incorporation into heterocyclic scaffolds via coupling and cyclization reactions. Its ortho-directed reactivity facilitates regioselective functionalization, while the amino and nitrile groups offer complementary handles for further derivatization. Bench-stable and readily purified, it supports scalable synthesis of API intermediates and advanced synthetic intermediates in drug discovery workflows.

Synthesis

Route1
- 939-80-0
- ~97%
- In-stock
  
  53312-79-1
References
- LY, Tai Wei; Potter, Garrett Thomas; Forrester, Jared Andrew Patent: US2011/230487 A1, 2011 ; Location in patent: Page/Page column 35 ; US 20110230487 A1
Route2
- 939-80-0
- 7732-18-5
- ~%
- In-stock
  
  53312-79-1
References
- US5744643 A1, ;

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

TPSA 49.81
LogP 1.79388
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

Key Words

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3-Amino-4-chlorobenzonitrile

CAS No. 53312-79-1

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