3-(Trifluoromethyl)benzonitrile

Name: 3-(Trifluoromethyl)benzonitrile
Brand: ChemScene
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CAS No. 368-77-4
Cat. No. CS-0059154
Purity≥97%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
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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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3-(Trifluoromethyl)benzonitrile|CS-0059154

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Description

Ammonium acetate is used for routine precipitation of nucleic acids, and is especially useful for reducing the coprecipitation of unwanted dNTPs and contaminating oligosaccharides. It is used as an important reagent for studying molecular biology, biological buffers, reagents and DNA and RNA purification. It is a popular buffer for mobile phases for HPLC with ESLD detection, for ESI mass spectrometry of proteins and other molecules, and has been used to replace cell buffers with non-volitile salts. Ammonium acetate is also used in protein studies and protein preparation. It can be used in the protein purification steps of dialysis to remove contaminants through diffusion and, when combined with distilled water, as a protein precipitating agent. In organic chemistry, ammonium acetate solution is useful as a catalyst in the Knoevenagel condensation and as a source of ammonia in the Borch reaction. Additionally, it is occasionally used commercially as a biodegradable de-icing agent and as an additive in food as an acidity regulator.

Application

3-(Trifluoromethyl)benzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to functionalized aromatic scaffolds. Its trifluoromethyl and nitrile groups confer enhanced metabolic stability and favorable lipophilicity, while the ortho-directing nature of the nitrile facilitates regioselective functionalization. The compound exhibits excellent bench stability and compatibility with standard coupling reactions, simplifying purification and downstream transformations in multi-step syntheses.

General Information

CAS No. 368-77-4
Cat. No. CS-0059154
Purity ≥97%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₄F₃N
Molecular Weight 171.12
Synonym(s) α,α,α-Trifluoro-m-tolunitrile
SMILES N#CC1=CC=CC(C(F)(F)F)=C1

Computational Chemistry Data

TPSA 23.79
LogP 2.57708
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 0

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H227-H302+H312-H335-H402
Precautionary Statements : P210-P261-P264-P270-P271-P273-P280-P302+P352-P304+P340-P330-P362+P364-P370+P378-P403-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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3-(Trifluoromethyl)benzonitrile

CAS No. 368-77-4

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