2,4-DIFLUORO-5-NITROBENZOIC ACID
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2,4-DIFLUORO-5-NITROBENZOIC ACID
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CAS No:
153775-33-8
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Formula:
C7H3F2NO4
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Chemical Name:
2,4-DIFLUORO-5-NITROBENZOIC ACID
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Synonyms:
2,4-DIFLUORO-5-NITROBENZOIC ACID;4-Difluoro-5-nitrobenzoic acid;2,4-Difluoro-5-nitrobenzoic acid 98%;2,4-Difluoro-5-nitrobenzoicacid98%;5-Carboxy-2,4-difluoronitrobenzene;Benzoic acid, 2,4-difluoro-5-nitro-
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CAS No:
Safety Information
36/37/38
26-36/37/39
Xi
Irritant/Keep Cold
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 8 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,4-DIFLUORO-5-NITROBENZOIC ACID Use and Manufacturing
Step A Nitric Acid (120 mL) was added slowly to a cold solution of sulfuric acid (200 mL) 2, 4- difluorobenzoic acid (65 g, 0 41 mol, 1 equiv) was added portionwise over 1 5 h and the reaction allowed to warm to RT The reaction mixture was heated to 50 A) To a suspension of 2, 4-difluorobenzoic acid (9. 985 g, 63.2 mmol) in concentrated sulfuric acid (30 [ML)] at [0 °C] was added fuming nitric acid (30 [ML)] over 30 min. The mixture was allowed to warm to RT and stirred for additional 16 h. The homogeneous mixture was poured over ice and extracted with ethyl acetate. The organic extract was washed with water, dried and concentrated in vacuo to afford 2, 4- difluoro-5-nitrobenzoic acid (12.56 gm, 98percent) as pale yellow solid.The synthesis of intermediate 22; Intermediate 1; 2, 4-difluoro-5-nitrobeπzoic acid; Nitric Acid (120 mL) was added slowly to a cold solution of sulfuric acid (200 mL). 2, 4- difluorobenzoic acid (65 g, 0.41 mol, 1 equiv) was added portionwise over 1.5 h and the reaction allowed to warm to RT. The reaction mixture was heated to 50 2, 4-Difluoro-5-nitrobenzoic acid
Computed Properties
Molecular Weight:203.10
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:203.00301390
Monoisotopic Mass:203.00301390
Topological Polar Surface Area:83.1
Heavy Atom Count:14
Complexity:255
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2,4-DIFLUORO-5-NITROBENZOIC ACID
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