2-Fluoro-4-methyl-5-nitrobenzonitrile

Name: 2-Fluoro-4-methyl-5-nitrobenzonitrile
Brand: ChemScene
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CAS No. 1695920-54-7
Cat. No. CS-0077247
Purity≥98%
MDL No.MFCD22200940

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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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2-Fluoro-4-methyl-5-nitrobenzonitrile|CS-0077247

Structure of 1695920-54-7

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Description

2-Fluoro-4-methyl-5-nitrobenzonitrile features a trifunctional aromatic core integrating electron-withdrawing nitrile, nitro, and fluoro groups with a methyl substituent. This combination imparts enhanced reactivity in cross-coupling and cyclization processes, enabling efficient construction of complex heterocyclic scaffolds under standard conditions.

Application

2-Fluoro-4-methyl-5-nitrobenzonitrile serves as a versatile building block in medicinal chemistry, enabling the construction of substituted heterocycles via cyclization or coupling reactions. The molecule’s orthogonal functional groups—fluorine, methyl, nitro, and nitrile—facilitate selective transformations under standard conditions. Its bench stability and compatibility with palladium-catalyzed cross-couplings make it ideal for iterative synthesis workflows targeting complex API scaffolds.

General Information

CAS No. 1695920-54-7
Cat. No. CS-0077247
Purity ≥98%
MDL No. MFCD22200940
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₅FN₂O₂
Molecular Weight 180.14
Synonym(s) 2-Fluoro-4-Methyl-5-Nitrobenzonitrile(WXC02388)
SMILES N#CC1=CC([N+]([O-])=O)=C(C)C=C1F

Computational Chemistry Data

TPSA 66.93
LogP 1.914
H_Acceptors 3
H_Donors 0
Rotatable_Bonds 1

Safety Information

Download SDS

GHS Pictogram :	GHS No : GHS06
Signal Word : Danger	UN#: 2811
Class : 6.1	Packing Group : Ⅲ
Hazard Statements : H301+H311+H331-H315-H319-H335
Precautionary Statements : P280-P361+P364

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Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Fluoro-4-methyl-5-nitrobenzonitrile

CAS No. 1695920-54-7

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