1-Bromo-4-(trifluoromethyl)cyclohexane

Name: 1-Bromo-4-(trifluoromethyl)cyclohexane
Brand: ChemScene
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CAS No. 30129-20-5
Cat. No. CS-0245709
Molecule weight231.05
Purity≥98%
MDL No.None

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
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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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1-Bromo-4-(trifluoromethyl)cyclohexane|CS-0245709

Structure of 30129-20-5

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General Information

CAS No. 30129-20-5
Cat. No. CS-0245709
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₁₀BrF₃
Molecular Weight 231.05
Synonym(s) Trifluormethylcyclohexylbromid
SMILES FC(C1CCC(Br)CC1)(F)F

Description

1-Bromo-4-(trifluoromethyl)cyclohexane features a bromine atom at C1 and a trifluoromethyl group at C4 of the cyclohexane ring, creating a sterically defined, electron-deficient platform. This configuration enables selective functionalization in synthetic sequences, particularly in cross-coupling reactions where the trifluoromethyl group enhances metabolic stability and lipophilicity. The compound exhibits robust bench stability under standard conditions and is compatible with a range of transition metal catalysts.

Application

1-Bromo-4-(trifluoromethyl)cyclohexane serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of fluorinated cyclohexane scaffolds. Its bromine functionality facilitates palladium-catalyzed cross-coupling reactions, while the trifluoromethyl group imparts enhanced metabolic stability and lipophilicity—key attributes in medicinal chemistry. The compound exhibits good bench stability and compatibility with standard purification methods, making it well-suited for iterative synthesis workflows.

Safety Information

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GHS Pictogram :	GHS No : GHS02,GHS07
Signal Word : Danger	UN#: 1993
Class : 3	Packing Group : Ⅲ
Hazard Statements : H225-H315-H319
Precautionary Statements : P210-P233-P240-P241-P242-P243-P264-P280-P302+P352-P362+P364-P370+P378-P501

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Computational Chemistry Data

TPSA 0
LogP 3.5024
H_Acceptors 0
H_Donors 0
Rotatable_Bonds 0

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Skeleton Fatty ring compounds Cyclohexane compounds

Key Words

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1-Bromo-4-(trifluoromethyl)cyclohexane

CAS No. 30129-20-5

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