4-AMINO-2-FLUOROBENZOICACID
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4-AMINO-2-FLUOROBENZOICACID
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CAS No:
446-31-1
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Formula:
C7H6FNO2
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Chemical Name:
4-AMINO-2-FLUOROBENZOICACID
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Synonyms:
4-Amino-2-fluorobenzoic acid;2-fluoro-4-aminobenzoic acid;4-amino-2-fluoro-benzoic acid;4-Amino-2-fluorobenzoicacid;4-amino-2-fluorobenzenecarboxylic acid;BENZOIC ACID, 4-AMINO-2-FLUORO-;MFCD01569397;4-Carboxy-3-fluoroaniline;NSC190362;PubChem4693
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CAS No:
Characteristics
63.3
1.2
WHITE TO TAN TO GREY POWDER, CRYSTALS OR CRYSTALLINE POWDER AND/OR CHUNKS
1.4±0.1 g/cm3
210 °C ( dec.)
336.1°C at 760 mmHg
157.0±23.7 °C
1.606
0.000155mmHg at 25°C
Safety Information
IRRITANT
NONH for all modes of transport
3
22-37/38-41
26-36
Xn,Xi
Irritant
P261-P280-P305 + P351 + P338
H302-H315-H318-H335
|Danger|H302 (82.61%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-AMINO-2-FLUOROBENZOICACID Use and Manufacturing
To a solution of [2-FLUORO-4-NITROBENZOIC] acid (1.0 g, 5.4 mmol) in 20 mL of a mixture of acetic acid and methanol (1: 1), was added a catalytic amount of palladium on charcoal (25 mg). The reaction was stirred under an atmosphere of hydrogen gas at room temperature overnight. The mixture was then filtered through celite and the solvent was removed by evaporation to yield 0.86 g (100percent) of the title compound as a cream coloured solid.EXAMPLE 44; /rα's-N'-((8-Fluoroquinolin-6-yl)methylene)-2- phenylcyclopropanecarbohydrazide; [0585] (a) 4-Amino-2-fluorobenzoic acid: 2-Fluoro-4-nitrobenzoic acid (5 g, 27.0 mmol) was dissolved in methanol (50 niL) and hydrogenated under an atmosphere of HA mixture of the product (1 g) and trifluoroacetic acid (40 ml) was stirred at laboratory temperature for 10 minutes and then evaporated. The residue was triturated with diethyl ether (50 ml) and the pale yellow solid filtered off and dried in vacuo to yield the
Computed Properties
Molecular Weight:155.13
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:155.03825660
Monoisotopic Mass:155.03825660
Topological Polar Surface Area:63.3
Heavy Atom Count:11
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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