2-FLUORO-3-NITROBENZOICACID
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2-FLUORO-3-NITROBENZOICACID
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CAS No:
317-46-4
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Formula:
C7H4FNO4
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Chemical Name:
2-FLUORO-3-NITROBENZOICACID
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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-
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CAS No:
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
Recommended Suppliers of 2-FLUORO-3-NITROBENZOICACID
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