3-Chloro-4-fluoro-5-nitro-benzoic acid

CAS NO.：132992-43-9
Empirical Formula: C7H3ClFNO4
Molecular Weight: 219.55
MDL number: MFCD20483321
Update Date: 2023-06-26 08:28:20

What is 3-Chloro-4-fluoro-5-nitro-benzoic acid?

Synthesis

A round bottom flask was charged with 3-chloro-4-fluorobenzoic acid (2.50 g, 14.32 mmol) and sulfuric acid (10 ml), and nitric acid (0.91 mL, 21.48 mmol) was added slowly. The reaction mixture was stirred at rt for 30 min and then heated to 100 °C and stirred at that temperature for 2h. After cooling to room temperature, the reaction mixture was poured into ice cold water and the precipitated solids were collected by filtration and washed with water and dried to afford 3-Chloro-4-fluoro-5-nitro-benzoic acid (2.44 g, 78%).

Properties of 3-Chloro-4-fluoro-5-nitro-benzoic acid

Boiling point:	369.0±42.0 °C(Predicted)
Density	1.689±0.06 g/cm3(Predicted)
pka	3.17±0.10(Predicted)

Safety information for 3-Chloro-4-fluoro-5-nitro-benzoic acid

Signal word	Warning
Pictogram(s)	Exclamation Mark Irritant GHS07
GHS Hazard Statements	H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes	P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for 3-Chloro-4-fluoro-5-nitro-benzoic acid

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