2,2,2-Trifluoro-2'-(trifluoromethyl)acetophenone

Name: 2,2,2-Trifluoro-2'-(trifluoromethyl)acetophenone
Brand: ChemScene
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CAS No. 42452-42-6
Cat. No. CS-0197224
Molecule weight242.12
Purity≥95%
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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2,2,2-Trifluoro-2'-(trifluoromethyl)acetophenone|CS-0197224

Structure of 42452-42-6

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General Information

CAS No. 42452-42-6
Cat. No. CS-0197224
Purity ≥95%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₄F₆O
Molecular Weight 242.12
Synonym(s) 2,2,2-Trifluoro-1-[2-(trifluoromethyl)phenyl]ethan-1-one, 2-(Trifluoroacetyl)benzotrifluoride
SMILES O=C(C1=CC=CC=C1C(F)(F)F)C(F)(F)F

Description

2,2,2-Trifluoro-2'-(trifluoromethyl)acetophenone features a highly electron-deficient aryl ketone core flanked by trifluoromethyl and trifluoroacetyl groups, enhancing reactivity in nucleophilic addition processes. This bench-stable compound integrates readily into synthetic routes requiring strong polarization effects.

Application

2,2,2-Trifluoro-2'-(trifluoromethyl)acetophenone serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of fluorinated heterocycles and pharmaceutical intermediates. Its dual trifluoromethyl and trifluoromethyl ketone functionalities confer high electrophilicity and metabolic stability, facilitating nucleophilic addition and condensation reactions with broad functional group tolerance. The compound exhibits excellent bench stability and ease of purification, making it well-suited for scalable synthesis and medicinal chemistry applications.

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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Computational Chemistry Data

TPSA 17.07
LogP 3.4504
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2,2,2-Trifluoro-2'-(trifluoromethyl)acetophenone

CAS No. 42452-42-6

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