3-Cyclopropyl-5-(trifluoromethyl)benzoic acid

Name: 3-Cyclopropyl-5-(trifluoromethyl)benzoic acid
Brand: ChemScene
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CAS No. 1588908-99-9
Cat. No. CS-0653115
Purity≥97%
MDL No.None

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FedEx Limited Quantities Ground	$0.00
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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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3-Cyclopropyl-5-(trifluoromethyl)benzoic acid|CS-0653115

Structure of 1588908-99-9

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General Information

CAS No. 1588908-99-9
Cat. No. CS-0653115
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₁H₉F₃O₂
Molecular Weight 230.18
Synonym(s) None
SMILES O=C(O)C1=CC(C(F)(F)F)=CC(C2CC2)=C1

Description

This cyclopropyl-substituted benzoic acid features a trifluoromethyl group at the para position, enhancing electron-withdrawal and metabolic stability. The cyclopropyl moiety introduces steric constraint and modulates lipophilicity, making it valuable for medicinal chemistry applications where enhanced membrane permeability and target binding are required.

Application

3-Cyclopropyl-5-(trifluoromethyl)benzoic acid serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles and pharmaceutical scaffolds. Its trifluoromethyl group enhances metabolic stability and lipophilicity, while the cyclopropyl substituent contributes to conformational rigidity. The carboxylic acid functionality facilitates direct derivatization or coupling reactions, offering reliable access to amides, esters, and other key intermediates under standard synthetic conditions.

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 37.3
LogP 3.281
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Building Blocks Skeleton Fatty ring compounds Cyclopropane compounds

Key Words

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3-Cyclopropyl-5-(trifluoromethyl)benzoic acid

CAS No. 1588908-99-9

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