5-Amino-2-fluorobenzonitrile

Name: 5-Amino-2-fluorobenzonitrile
Brand: ChemScene
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CAS No. 53312-81-5
Cat. No. CS-W019977
Purity≥98%
MDL No.MFCD00277872

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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+
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Structure of 53312-81-5

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General Information

CAS No. 53312-81-5
Cat. No. CS-W019977
Purity ≥98%
MDL No. MFCD00277872
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₅FN₂
Molecular Weight 136.13
Synonym(s) 4-Fluoro-3-cyanoaniline
SMILES N#CC1=CC(N)=CC=C1F

Description

5-Amino-2-fluorobenzonitrile features a strategically positioned amino group and fluorine atom on a benzonitrile scaffold, enabling precise tuning of electronic properties. This combination enhances solubility and reactivity in synthetic transformations, particularly in cross-coupling and cyclization reactions. The molecule’s bench-stable nature supports reliable use across diverse reaction conditions.

Application

5-Amino-2-fluorobenzonitrile serves as a versatile building block in medicinal chemistry, enabling the synthesis of fluorinated heterocycles and bioactive scaffolds. Its ortho-fluoro and amino groups facilitate directed metalation and electrophilic substitution, while the nitrile group supports transformation into carboxamides or carboxylic acids. The compound exhibits good bench stability and compatibility with standard coupling reactions, making it suitable for iterative synthesis campaigns in API development.

Synthesis

Route1
- In-stock
  
  17417-09-3
- ~95%
- In-stock
  
  53312-81-5
References
- Li, Yun-Long; Fevig, John M.; Cacciola, Joseph; Buriak Jr., Joseph; Rossi, Karen A.; Jona, Janan; Knabb, Robert M.; Luettgen, Joseph M.; Wong, Pancras C.; Bai, Stephen A.; Wexler, Ruth R.; Lam, Patrick Y.S. Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 19 p. 5176 - 5182
Route2
- In-stock
  
  16588-02-6
- ~%
- In-stock
  
  53312-81-5
References
- Journal of Heterocyclic Chemistry, , vol. 28, # 3 p. 685 - 695

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS05
Signal Word : Danger	UN#: 1759
Class : 8	Packing Group : Ⅲ
Hazard Statements : H315-H318
Precautionary Statements : P264-P280-P302+P352-P362

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Computational Chemistry Data

TPSA 49.81
LogP 1.27958
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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5-Amino-2-fluorobenzonitrile

CAS No. 53312-81-5

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