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385-02-4

385-02-4 Structure

385-02-4 Structure
IdentificationMore
[Name]

2-Fluoro-6-nitrobenzoic acid
[CAS]

385-02-4
[Synonyms]

2-FLUORO-6-NITROBENZOIC ACID
2-FLUORO-6-NITROBENZOIC ACID 98.0%
2-Fluoro-6-nitrobenzotc acid
[EINECS(EC#)]

253-994-5
[Molecular Formula]

C7H4FNO4
[MDL Number]

MFCD01862079
[Molecular Weight]

185.11
[MOL File]

385-02-4.mol
Chemical PropertiesBack Directory
[Melting point ]

150 °C
[Boiling point ]

334.7±27.0 °C(Predicted)
[density ]

1.568±0.06 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Solid
[pka]

1.50±0.30(Predicted)
[color ]

White to Light yellow to Light orange
[CAS DataBase Reference]

385-02-4(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29163900
Hazard InformationBack Directory
[Chemical Properties]

light yellow powder
[Uses]

2-Fluoro-6-nitrobenzoic acid is used as an intermediate in the synthesis of certain drugs, pesticides or advanced materials.
[Synthesis]

2-Fluoro-6-nitrotoluene

769-10-8

2-Fluoro-6-nitrobenzoic acid

385-02-4

A. Synthesis of 2-fluoro-6-nitrobenzoic acid. Under stirring, 2-fluoro-6-nitrotoluene (exact amount not provided) was added to a suspension of potassium permanganate (102 g, 0.65 mol) in water (1.4 L). The reaction mixture was heated to reflux for 4 h, subsequently cooled to room temperature, filtered and washed with diethyl ether. The aqueous phase was acidified to pH 2 with concentrated hydrochloric acid and then extracted with ethyl acetate. The organic phase was washed with brine, dried over magnesium sulfate, filtered, and concentrated under vacuum to give 11.81 g (40% yield) of 2-fluoro-6-nitrobenzoic acid. The product was characterized by 1H NMR and IS-MS (m/e 184.0 [M-1]). Elemental analysis (C7H4FNO4) Calculated values: C, 45.42; H, 2.18; N, 7.57; Measured values: C, 45.22; H, 2.29; N, 7.27.

[References]

[1] Chemische Berichte, 1896, vol. 29, p. 841
[2] Journal of Medicinal Chemistry, 1994, vol. 37, # 6, p. 758 - 768
[3] Israel Journal of Chemistry, 1964, vol. 2, p. 25 - 28
[4] Patent: US6635657, 2003, B1
[5] Patent: US4316839, 1982, A
Spectrum DetailBack Directory
[Spectrum Detail]

2-Fluoro-6-nitrobenzoic acid(385-02-4)1HNMR
2-Fluoro-6-nitrobenzoic acid(385-02-4)19FNMR
2-Fluoro-6-nitrobenzoic acid(385-02-4)FT-IR
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