2-(3,4,5-Trifluorophenyl)acetonitrile

CAS No. 220228-03-5
Cat. No. CS-W017660
Purity≥95%
MDL No.MFCD00083531

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2-(3,4,5-Trifluorophenyl)acetonitrile|CS-W017660

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Description

2-(3,4,5-Trifluorophenyl)acetonitrile features a trifluorophenyl group with strong electron-withdrawing character, enhancing reactivity in nucleophilic substitution and coupling reactions. The nitrile moiety provides a polar, rigid handle for further functionalization. This compound exhibits bench-stable behavior and good solubility in common organic solvents, facilitating its use in synthetic intermediates for pharmaceuticals and agrochemicals.

Application

2-(3,4,5-Trifluorophenyl)acetonitrile serves as a versatile building block in medicinal chemistry, enabling the synthesis of biologically active compounds through established functional group transformations. Its trifluorophenyl moiety enhances metabolic stability and lipophilicity, while the nitrile group offers reliable reactivity in nucleophilic additions and cyclizations. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for high-throughput screening campaigns and process-scale applications.

General Information

CAS No. 220228-03-5
Cat. No. CS-W017660
Purity ≥95%
MDL No. MFCD00083531
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₄F₃N
Molecular Weight None
Synonym(s) 3,4,5-Trifluorophenylacetonitrile
SMILES N#CCC1=CC(F)=C(F)C(F)=C1

Computational Chemistry Data

TPSA 23.79
LogP 2.16998
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 1

Safety Information

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GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H302-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P403+P233-P405-P501

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Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-(3,4,5-Trifluorophenyl)acetonitrile

CAS No. 220228-03-5

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