2-Amino-4-(trifluoromethyl)benzoic acid
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2-Amino-4-(trifluoromethyl)benzoic acid
structure -
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CAS No:
402-13-1
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Formula:
C8H6F3NO2
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Chemical Name:
2-Amino-4-(trifluoromethyl)benzoic acid
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Synonyms:
Benzoic acid,2-amino-4-(trifluoromethyl)-;p-Toluic acid,2-amino-α,α,α-trifluoro-;2-Amino-4-(trifluoromethyl)benzoic acid;4-Trifluoromethylanthranilic acid
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CAS No:
2-Amino-4-(trifluoromethyl)benzoic acid Basic Attributes
205.13
205.13
206-937-3
DTXSID30193191
2922499990
Characteristics
63.3
2.3
Yellowish crystal
1.5±0.1 g/cm3
172-174 °C @ Solvent: Benzene
296°C at 760 mmHg
132.8±27.3 °C
1.528
0.000665mmHg at 25°C
Safety Information
IRRITANT
36-36/37/38
26-36/37/39
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
2-Amino-4-(trifluoromethyl)benzoic acid Use and Manufacturing
N-(6-Acetyl-2, 4-dioxo-7-trifluoromethyl-l, 4-dihydro-2H-quinazolin-3-yl)-methanesulfonamide; 2-Amino-4-trifluoromethyl-benzoic acid; A solution of 2-nitro-4-trifluoromethyl-benzoic acid (100 g, 425 mmol) in MeOH (600 mL) was treated with palladium on carbon (10percent) and the mixture was stirred at r.t. for 2 h under hydrogen (7 bars). The mixture was then filtered and concentrated in vacuo to give 2-amino-4-trifluoromethyl-benzoic acid (87.2 g, 425 mmol, 100percent) as a yellow solid, m.p. 172-173 b) 2-Nitro-4-trifluoromethyl-benzoic acid (3.07 g, 13.0 mmol) was stirred with Pd/C under hydrogen atmosphere for 2 hrs. The reaction mixture was filtered with celite to remove Pd/C. The filterate was concentrated in vacuo. The residue was extracted with CHMethyl 2-amino-4-(trifluoromethyl)benzoate; Step 1: 2-Amino-4-(trifluoromethyl)benzoic acid; A mixture of 2-nitro-4-(trifluoromethyl)benzoic acid (646 g, 2.75 mol) and 10percent palladium on carbon (50percent in water, 71 g) in MeOH (3.6 L) was allowed to stir at rt under an atmosphere of Hl-(4-(Pyridin-4-yloxy)phenyl)-3-(2-(thiomoφhoIine-l, l-dioxide-4-carbonyl)-5-(trifluoromethyl)phenyl)urea; 16028O[0265] To a 100 mL flask containing 2-nitro-4-(trifluoromethyl)benzoic acid (940.5 mg, 4 mmol) in 30 mL MeOH was added 100 mg of 10percent Pd/C. After flushing with hydrogen
Computed Properties
Molecular Weight:205.13
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:205.03506292
Monoisotopic Mass:205.03506292
Topological Polar Surface Area:63.3
Heavy Atom Count:14
Complexity:229
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-Amino-4-(trifluoromethyl)benzoic acid
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