1-(3-Aminophenyl)-2,2,2-trifluoroethan-1-one

Name: 1-(3-Aminophenyl)-2,2,2-trifluoroethan-1-one
Brand: ChemScene
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CAS No. 23516-80-5
Cat. No. CS-0102916
Molecule weight189.13
Purity≥98%
MDL No.MFCD13186716

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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+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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1-(3-Aminophenyl)-2,2,2-trifluoroethan-1-one|CS-0102916

Structure of 23516-80-5

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General Information

CAS No. 23516-80-5
Cat. No. CS-0102916
Purity ≥98%
MDL No. MFCD13186716
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆F₃NO
Molecular Weight 189.13
Synonym(s) 1-(3-Aminophenyl)-2,2,2-trifluoroethanone
SMILES FC(F)(F)C(C1=CC=CC(N)=C1)=O

Description

1-(3-Aminophenyl)-2,2,2-trifluoroethan-1-one features a trifluoromethyl ketone group flanked by an electron-rich aniline moiety, enabling direct conjugation in bioconjugation workflows. The para-amino substitution enhances solubility and reactivity under standard conditions, while the trifluoromethyl group imparts metabolic stability and lipophilicity. This compound serves as a robust scaffold for probe development in chemical biology.

Application

1-(3-Aminophenyl)-2,2,2-trifluoroethan-1-one serves as a versatile building block for the synthesis of fluorinated aromatic amides and heterocyclic scaffolds. Its trifluoromethyl ketone functionality enables efficient nucleophilic addition reactions, while the ortho-amino group facilitates downstream cyclizations and coupling processes. The compound exhibits good bench stability and compatibility with common protecting groups, enabling straightforward purification and integration into multi-step synthetic sequences for 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-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 43.09
LogP 2.0138
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-(3-Aminophenyl)-2,2,2-trifluoroethan-1-one

CAS No. 23516-80-5

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