2-Fluoro-1,3-dimethyl-5-nitrobenzene

Name: 2-Fluoro-1,3-dimethyl-5-nitrobenzene
Brand: ChemScene
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CAS No. 1736-85-2
Cat. No. CS-W005736
Purity≥98%
MDL No.None

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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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2-Fluoro-1,3-dimethyl-5-nitrobenzene|CS-W005736

Structure of 1736-85-2

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Description

2-Fluoro-1,3-dimethyl-5-nitrobenzene features a fluorine atom and a nitro group positioned meta to each other on a benzene ring, with methyl groups at the 1- and 3-positions. This electron-deficient aromatic scaffold enables direct coupling in cross-coupling reactions and serves as a building block for functionalized pharmaceutical intermediates.

Application

2-Fluoro-1,3-dimethyl-5-nitrobenzene serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling regioselective functionalization via electrophilic substitution. The fluorine and nitro groups provide orthogonal reactivity for late-stage diversification, while the methyl substituents enhance metabolic stability and modulate electronic properties. Bench-stable and compatible with standard coupling reactions, it facilitates efficient access to complex heterocyclic scaffolds and API intermediates.

General Information

CAS No. 1736-85-2
Cat. No. CS-W005736
Purity ≥98%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₈FNO₂
Molecular Weight 169.15
Synonym(s) 3,5-Dimethyl-4-fluoronitrobenzene
SMILES O=[N+]([O-])C1=CC(C)=C(C(C)=C1)F

Computational Chemistry Data

TPSA 43.14
LogP 2.35074
H_Acceptors 2
H_Donors 0
Rotatable_Bonds 1

Safety Information

Download SDS

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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Other Classifications

Building Blocks Functional Group Nitro compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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2-Fluoro-1,3-dimethyl-5-nitrobenzene

CAS No. 1736-85-2

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