2,6-DIFLUORO-3-NITROBENZOICACID
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2,6-DIFLUORO-3-NITROBENZOICACID
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CAS No:
83141-10-0
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Formula:
C7H3F2NO4
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Chemical Name:
2,6-DIFLUORO-3-NITROBENZOICACID
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Synonyms:
RARECHEM AL BO 0441;2,6-Difluro-3-nitrobenzoic acid;2,6-DIFLUORO-3-NITROBENZOIC ACID;2,6-Difluoro-3-nitrobenzoicacid98%;3-Carboxy-2,4-difluoronitrobenzene;Benzoic acid, 2,6-difluoro-3-nitro-;2,6-Difluoro-3-nitrobenzoic acid 98%
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CAS No:
Characteristics
83.1
1.5
solid
1.7±0.1 g/cm3
92-96°C
335.5°C at 760 mmHg
156.7±27.9 °C
1.563
Keep Cold
Safety Information
IRRITANT
36/37/38
26-36/37/39-24/25
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 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,6-DIFLUORO-3-NITROBENZOICACID Use and Manufacturing
Concentrated sulfuric acid (5 mL) was added into 2, 6-difluoro benzoic acid (1.4 g, 9 mmol) and potassium nitrate (1 g, 9.9 mmol) was added gradually at 0°C. After the temperature of the reactant was elevated to a room temperature, the reactant was stirred for 24 hours. After pouring ice water into the reaction solution, extracting with ethylacetate, drying with sulfuric anhydride magnesium, and vacuum concentrating, the filtrate solid was washed with diethyl ether, and dried, so that 1.3 g of the target compound, 2, 6-difluoro-3-nitro benzoic acid (percentage yield: 71percent), was obtained.
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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