2-Formyl-5-(methylsulphonyl)benzotrifluoride

Name: 2-Formyl-5-(methylsulphonyl)benzotrifluoride
Brand: ChemScene
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CAS No. 1215310-75-0
Cat. No. CS-0041427
Purity≥97%
MDL No.MFCD15479075

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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+
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2-Formyl-5-(methylsulphonyl)benzotrifluoride|CS-0041427

Structure of 1215310-75-0

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General Information

CAS No. 1215310-75-0
Cat. No. CS-0041427
Purity ≥97%
MDL No. MFCD15479075
Storage 4°C, stored under nitrogen
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₉H₇F₃O₃S
Molecular Weight 252.21
Synonym(s) None
SMILES FC(F)(F)C1=CC(S(=O)(C)=O)=CC=C1C=O

Description

2-Formyl-5-(methylsulphonyl)benzotrifluoride features a trifluoromethylated aromatic core with orthogonal functional groups: an aldehyde at the 2-position and a methylsulphonyl moiety at the 5-position. This combination enables direct coupling in cross-coupling reactions and facilitates downstream derivatization via nucleophilic addition or condensation chemistry. The electron-deficient aryl ring enhances reactivity toward nucleophiles, while the bench-stable form allows handling under standard conditions.

Application

2-Formyl-5-(methylsulphonyl)benzotrifluoride serves as a versatile building block in medicinal chemistry, enabling direct incorporation of trifluoromethyl and sulfone functionalities into complex scaffolds. Its formyl group facilitates efficient derivatization via nucleophilic addition or condensation reactions, while the orthogonal methylsulfonyl and trifluoromethyl groups offer enhanced metabolic stability and modulated lipophilicity. Bench-stable and compatible with standard purification techniques, it functions effectively in late-stage functionalization and heterocycle synthesis.

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 : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

TPSA 51.21
LogP 1.9214
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Aldehyde

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Formyl-5-(methylsulphonyl)benzotrifluoride

CAS No. 1215310-75-0

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