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Home > Encyclopedia > 2-FLUORO-3-NITROBENZOICACID

2-FLUORO-3-NITROBENZOICACID

2-FLUORO-3-NITROBENZOICACID structure

2-FLUORO-3-NITROBENZOICACID 

structure
  • CAS No:

    317-46-4

  • Formula:

    C7H4FNO4

  • Chemical Name:

    2-FLUORO-3-NITROBENZOICACID

  • Synonyms:

    2-FLUORO-3-NITROBENZOICACID;Benzoicacid,2-fluoro-3-nitro-;3-Carboxy-2-fluoronitrobenzene;2-Fluoro-3-nitrobenzoicacid99%;2-Fluoro-3-nitrobenzoicacid+B244;3-Pyridinecarboxylicacid,4-aMino-

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

Description

Light yellow crystalline powder

2-FLUORO-3-NITROBENZOICACID Basic Attributes

185.11

185.012436

2916399090

Characteristics

83.1

1.3

1.6±0.1 g/cm3

347.6°C at 760 mmHg

164.0±23.7 °C

1.588

Slightly soluble in water.

Safety Information

24/25

Xi: Irritant;

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

H315

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

2-FLUORO-3-NITROBENZOICACID Use and Manufacturing

Alternative Method of Preparing methyl 3-amino-2-fluorobenzoate (Step B of Intermediate 15 Above); Step A: 2-fluoro-3-nitrobenzoic acid; Concentrated sulfuric acid (195 ml) was added carefully with stirring to a solution of 2-fluoro-3-nitrotoluene (100 g, 645 mmol) in acetic acid (1000 ml). The mixture was warmed up to 95° C. and the solution of chromium trioxide (226 g, 2.25 mol) in water (200 ml) was added dropwise with stirring over 2 h. After addition the mixture was heated with stirring for another 3 h, allowed to cool down to room temperature and poured into water (3 L). The mixture was extracted with ethyl acetate (3.x.1 L), the combined organic layers were dried over NaConcentrated sulfuric acid (195 ml_) was added carefully with stirring to a solution of 2-fluoro-3-nitrotoluene (100 g, 645 mmol) in acetic acid (1000 ml_). The mixture was warmed up to 95 °C and a solution of chromium trioxide (226 g, 2.25 mol) in water (200 ml) was added dropwise with stirring over 2h. After addition the mixture was heated with stirring for another 3h, allowed to cool down to room temperature and poured into water (3 L). The mixture was extracted with ethyl acetate (3 x 1 L), the combined organic layers were dried over Na

Computed Properties

Molecular Weight:185.11
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:185.01243577
Monoisotopic Mass:185.01243577
Topological Polar Surface Area:83.1
Heavy Atom Count:13
Complexity:227
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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