2-Amino-3-chlorobenzoic acid
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2-Amino-3-chlorobenzoic acid
structure -
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CAS No:
6388-47-2
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Formula:
C7H6ClNO2
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Chemical Name:
2-Amino-3-chlorobenzoic acid
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Synonyms:
Benzoic acid,2-amino-3-chloro-;Anthranilic acid,3-chloro-;2-Amino-3-chlorobenzoic acid;3-Chloroanthranilic acid;3-Chloro-2-aminobenzoic acid;NSC 20671
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CAS No:
2-Amino-3-chlorobenzoic acid Basic Attributes
171.58
171.58
228-996-4
20671
DTXSID00213395
2922499990
Characteristics
63.3
1.9
Yellow to brown Solid
1.5±0.1 g/cm3
190 °C
0°C
0°C
1.649
soluble in water.
Refrigerator
Safety Information
NONH for all modes of transport
1
36/37/38
26-37/39-36
Xi
Irritant
P261-P305 + P351 + P338
H315-H319-H335
|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 43 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Amino-3-chlorobenzoic acid Use and Manufacturing
To a stirred solution of 3-chloro-2-nitro-benzoic acid (15 g, 0.074 mol) in water (105 mL), 30percent aq. NH3 (6 mL) and aqueous solution of sodium dithionite (52 g, 0.298 mol) were addedat RT and stirred for 1 h (TLC indicated complete consumption of starting material). Thereaction mixture was acidified with cone. HCI (30 mL) till pH= 3, extracted with EtOAc (2 x500 mL), washed with water (2 x 100 mL) and brine (150 mL). The combined organicextracts were dried over Na2S04, concentrated under reduced pressure to give the crudeproduct which was washed with Et20 (50 mL) to furnish 2-amino-3-chlorobenzoic acid (9 g, 70percent) as an off-white solid. LCMS: m/z: 172.3 [M+H]+Example 20. Preparation of 3-(4-bromophenyl)-8-chloro-2-(4-(2-hydroxyethoxy)-3, 5- dimethylphenyl)quinazolin-4(3H)-one; [0195] To a stirred solution of 3-chloro-2-nitrobenzoic acid (2.01 g, 10.0 mmol) in anhydrous methanol (100 ml_) nickel(ll)chloride hexahydrate (4.75 g, 20.0 mmol) was added, and the reaction mixture was cooled to room temperature. To this green solution was added NaBHPlatinum oxide (339 mg) was added to a solution of 3-CHLORO-2-NITROBENZOIC acid (5.61 g, 27.8 mmol) in a mixed solvent of tetrahydrofuran (10 ml) and ethyl acetate (40 ml), and the resulting mixture was stirred at room temperature under a hydrogen atmosphere for 12 hours. At the end of this time, the reaction mixture was filtered and the filtrate obtained was concentrated to yield a crude crystalline solid. This crude crystalline solid was recrystallized from a mixed solvent of ethyl acetate and hexane to yield 3-chloroanthranilic acid as pale yellow needles (1.34 g, yield: 28 percent).70 ml of methanol was added to an autoclave, and cooled to -70° C., and 16 g (942 mmol) of a generated ammonia gas was added. 30 g (157 mmol) of 2, 3-dichlorobenzoic acid and 0.78 g (7.85 mmol) of copper(I) chloride were added.
2-Amino-3-chlorobenzoic acid is used as a pesticide and pharmaceutical intermediate.
Computed Properties
Molecular Weight:171.58
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:171.0087061
Monoisotopic Mass:171.0087061
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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