Fluralaner intermediate

Name: Fluralaner intermediate
Brand: ChemScene
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CAS No. 55860-35-0
Cat. No. CS-0112809
Purity≥98%
MDL No.MFCD20639525

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Each bottle is packed as an Excepted Quantity, with a maximum of 1g for items in class 6.1 packing group I or II, and up to 25g for all other hazardous materials.

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Type	HazMat Fee
Excepted Quantity	$0.00
FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
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+

An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

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Structure of 55860-35-0

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General Information

CAS No. 55860-35-0
Cat. No. CS-0112809
Purity ≥98%
MDL No. MFCD20639525
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₀H₁₀O₃
Molecular Weight 178.19
Synonym(s) 4-Acetyl-2-methylbenzoic acid
SMILES O=C(O)C1=CC=C(C(C)=O)C=C1C

Description

4-Acetyl-2-methylbenzoic acid features a strategically positioned acetyl group flanked by a methyl substituent and a carboxylic acid moiety, enabling direct integration into complex aromatic scaffolds. This electron-deficient platform supports efficient derivatization under standard conditions, offering enhanced solubility and stability in synthetic workflows.

Application

4-Acetyl-2-methylbenzoic acid serves as a versatile building block in synthetic organic chemistry, enabling the construction of substituted benzoic acid derivatives and heterocyclic scaffolds. Its orthogonal functional groups—carboxylic acid, ketone, and methyl—are compatible with standard coupling, reduction, and electrophilic substitution protocols. The molecule exhibits good bench stability and facilitates straightforward purification, making it well-suited for medicinal chemistry campaigns and process development workflows.

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-P280-P302+P352

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Computational Chemistry Data

TPSA 54.37
LogP 1.89582
H_Acceptors 2
H_Donors 1
Rotatable_Bonds 2

Other Classifications

Building Blocks Functional Group Ketone

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Fluralaner intermediate

CAS No. 55860-35-0

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