Methyl 4-chloro-2-fluorobenzoate

Name: Methyl 4-chloro-2-fluorobenzoate
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CAS No. 148893-72-5
Cat. No. CS-0065296
Purity≥98%
MDL No.MFCD04038392

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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+

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Methyl 4-chloro-2-fluorobenzoate|CS-0065296

Structure of 148893-72-5

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General Information

CAS No. 148893-72-5
Cat. No. CS-0065296
Purity ≥98%
MDL No. MFCD04038392
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₆ClFO₂
Molecular Weight 188.58
Synonym(s) Methyl4-chloro-2-fluoroBenzoate
SMILES O=C(OC)C1=CC=C(Cl)C=C1F

Description

Methyl 4-chloro-2-fluorobenzoate features a strategically positioned chloro and fluoro substituent on the aromatic ring, enabling precise electronic tuning for synthetic applications. This bench-stable ester integrates readily into coupling reactions and serves as a key intermediate in pharmaceutical and agrochemical synthesis.

Application

Methyl 4-chloro-2-fluorobenzoate serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient construction of fluorinated aromatic scaffolds. Its orthogonal halogen reactivity facilitates palladium-catalyzed cross-coupling reactions, while the ester group supports selective transformations. The compound exhibits excellent bench stability and compatibility with diverse reaction conditions, simplifying purification and process development.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 26.3
LogP 2.2657
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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Methyl 4-chloro-2-fluorobenzoate

CAS No. 148893-72-5

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