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2-Fluoro-3-nitrotoluene

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CAS:437-86-5
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  • 2-Fluoro-3-nitrotoluene
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  • CAS:437-86-5
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  • 2-Fluoro-3-nitrotoluene
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  • $200.00 / 1KG
  • 2025-09-25
  • CAS:437-86-5
  • Min. Order: 1KG
  • Purity: 99%, 99.5% Sublimated
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2-Fluoro-3-nitrotoluene Basic information
Product Name:2-Fluoro-3-nitrotoluene
Synonyms:2-FLUORO-3-NITROTOLUENE;2-Fluoro-3-nitrotluene;2-fluoro-3-Nitrotoluol;2-Fluoro-3-methylnitrobenzene, 2-Fluoro-1-methyl-3-nitrobenzene;2-Fluoro-3-maethylnitrobenzene;2-fluoro-3-methylnitrobenzene;2-Fluoro-3-nitrotoluene>;Benzene, 2-fluoro-1-methyl-3-nitro-
CAS:437-86-5
MF:C7H6FNO2
MW:155.13
EINECS:639-386-6
Product Categories:Aromatic Hydrocarbons (substituted) & Derivatives;Fluorinated benzene series;Fluorin-contained toluene series;Halogen toluene
Mol File:437-86-5.mol
2-Fluoro-3-nitrotoluene Structure
2-Fluoro-3-nitrotoluene Chemical Properties
Melting point 19℃
Boiling point 111℃/12mm
density 1.276
Fp 98°(208°F)
refractive index 1.5290
storage temp. Sealed in dry,Room Temperature
form Liquid
color Colorless to pale yellow
InChIInChI=1S/C7H6FNO2/c1-5-3-2-4-6(7(5)8)9(10)11/h2-4H,1H3
InChIKeyNBCNUIXYBLFJMI-UHFFFAOYSA-N
SMILESC1(C)=CC=CC([N+]([O-])=O)=C1F
LogP1.423
CAS DataBase Reference437-86-5(CAS DataBase Reference)
Safety Information
Hazard Codes Xi,C
Risk Statements 34-36/37/38-20/22
Safety Statements 26-36/37/39-45-36/37
Hazard Note Harmful/Irritant
HazardClass IRRITANT
HazardClass 6.1
HS Code 29039990
MSDS Information
2-Fluoro-3-nitrotoluene Usage And Synthesis
Chemical PropertiesClear light yellow to yellow liquid
Uses2-Fluoro-3-nitrotoluene is a class of fluorinated aromatic compounds. Compared with fluorinated aromatic compounds, fluorinated aromatic compounds have excellent properties in the fields of medicine and pesticides, such as low dosage, low toxicity, high efficacy, and strong metabolic capacity, and are widely used.
Synthesis
2-CHLORO-3-NITROTOLUENE

3970-40-9

2-Fluoro-3-nitrotoluene

437-86-5

Cesium fluoride (97.5 g, 642 mmol) was added to a solution of 2-chloro-1-methyl-3-nitrobenzene (73.4 g, 428 mmol) in dimethyl sulfoxide (DMSO, 185 mL) under nitrogen protection. The reaction mixture was stirred at 140 °C for 10 hours. Upon completion of the reaction, the mixture was slowly poured into 0.5 N hydrochloric acid and extracted twice with ethyl acetate. The organic phases were combined, washed with saturated brine and dried over anhydrous magnesium sulfate. The solvent was removed by concentration under reduced pressure to give the crude product. The crude product was purified by reduced pressure distillation (boiling point: 118-122 °C/15 mmHg) to give 2-fluoro-3-nitrotoluene (54.4 g, 82% yield) as a yellow oil.1H NMR (DMSO-d6, 270 MHz) δ (ppm): 7.96 (m, 1H), 7.73 (m, 1H), 7.34 (t, J = 8.2 Hz, 1H), 2.35 (t, J = 8.2 Hz, 1H), 2.35 (t, J = 8.2 Hz, 1H), 2.35 (t, J = 8.2 Hz, 1H). 1H), 2.35 (d, J = 2.4 Hz, 3H). Intersil C18 (ODS, 5 μm, 4.6 mm ID × 50 mm, GL Sciences) or SunFire C18 (ODS, 5 μm, 4.6 mm ID × 50 mm, Waters); mobile phases: water (A) containing 0.05% trifluoroacetic acid and acetonitrile (B) containing 0.05% trifluoroacetic acid; elution method: gradient elution ( Solvent B was raised from 10% to 95% in 3.5 min, then lowered to 10% in 1 min, holding 10% B for 0.5 min); Flow rate: 4.0 mL/min.

References[1] Patent: EP1982982, 2008, A1. Location in patent: Page/Page column 196
[2] Patent: EP2172198, 2010, A1
[3] ACS Medicinal Chemistry Letters, 2013, vol. 4, # 11, p. 1059 - 1063
[4] Patent: KR101511396, 2015, B1. Location in patent: Paragraph 2861-2865
2-Fluoro-3-nitrotoluene Preparation Products And Raw materials
Raw materialsCaesium fluoride-->Dimethyl sulfoxide-->2-CHLORO-3-NITROTOLUENE
Preparation Products2-Fluoro-5-nitrotoluene-->methyl 2-fluoro-3-nitrobenzoate-->2-Fluoro-3-methylaniline
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