3-Chloro-2-fluorobenzonitrile

Name: 3-Chloro-2-fluorobenzonitrile
Brand: ChemScene
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CAS No. 94087-40-8
Cat. No. CS-W016251
Purity≥98%
MDL No.MFCD00042206

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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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3-Chloro-2-fluorobenzonitrile|CS-W016251

Structure of 94087-40-8

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Description

3-Chloro-2-fluorobenzonitrile features a strategically positioned nitrile group flanked by chlorine and fluorine substituents, enabling precise tuning of electronic properties. This electron-deficient aromatic scaffold integrates readily into synthetic routes for pharmaceutical intermediates and agrochemicals. The compound exhibits robust stability under standard conditions and facilitates efficient coupling reactions in complex molecule assembly.

Application

3-Chloro-2-fluorobenzonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to substituted benzene scaffolds. Its ortho-halogenated structure facilitates palladium-catalyzed cross-coupling reactions, while the nitrile group offers direct functionalization potential via hydrolysis or nucleophilic addition. Bench-stable and compatible with standard reaction conditions, it supports scalable derivatization in multi-step syntheses.

General Information

CAS No. 94087-40-8
Cat. No. CS-W016251
Purity ≥98%
MDL No. MFCD00042206
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₇H₃ClFN
Molecular Weight 155.56
Synonym(s) (3-chloro-2-fluorophenyl)acetonitrile
SMILES N#CC1=CC=CC(Cl)=C1F

Computational Chemistry Data

TPSA 23.79
LogP 2.35078
H_Acceptors 1
H_Donors 0
Rotatable_Bonds 0

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H312+H332
Precautionary Statements : P261-P271-P280-P302+P352-P304+P340-P362+P364-P501

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Other Classifications

Building Blocks Functional Group Chloride

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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3-Chloro-2-fluorobenzonitrile

CAS No. 94087-40-8

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