2-Amino-6-chlorobenzoic acid
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2-Amino-6-chlorobenzoic acid
structure -
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CAS No:
2148-56-3
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Formula:
C7H6ClNO2
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Chemical Name:
2-Amino-6-chlorobenzoic acid
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Synonyms:
Benzoic acid,2-amino-6-chloro-;Anthranilic acid,6-chloro-;2-Amino-6-chlorobenzoic acid;6-Chloroanthranilic acid;2-Chloro-6-aminobenzoic acid;NSC 17189;6-Chloro-2-aminobenzoic acid
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CAS No:
2-Amino-6-chlorobenzoic acid Basic Attributes
171.58
171.58
2804041
218-416-8
17189
DTXSID40175761
2922499990
Characteristics
63.3
1.5
Light yellow to beige Crystalline Powder
1.5±0.1 g/cm3
159 °C
339.3ºC at 760 mmHg
159.0±23.7 °C
1.649
Very soluble in water. soluble in methanol.
Room temperature.
3.61E-05mmHg at 25°C
Safety Information
NONH for all modes of transport
3
36/37/38
26-36-37/39
Xi
Irritant
Stable at room temperature in closed containers under normal storage and handling conditions.
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 52 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Amino-6-chlorobenzoic acid Use and Manufacturing
The mass fraction of the potassium bisulfite solution in was adjusted, and the remaining preparation conditions were mixed with the raw materialsIn the same manner as in Example 1, the reaction yield was as follows Example 1A, In a reaction vessel equipped with a stirrer, a thermometer, a reflux condenser, and a dropping funnel, cerium chloride0.16mol, mass fraction 23percent 4-hydroxy-3-methoxybenzene ethanol solution 0.19mol, mass fraction of 28percent potassium chloride solution 500ml, control the stirring speed 190rpm, raising the solution temperature to 65 , slow Adding 0.13mol of 2-chloro-6-nitrobenzoic acid solution, adding 200ml of 41percent potassium bisulfite solution, increasing the stirring speed to 310rpm and refluxing for 5h;B, reduce the solution temperature to 19 ° C, precipitation of solid, filtration, the filtrate was added to the mass fraction of 49percent hydrogen dihydrogen citrateAmmonium hydroxide solution, 180ml, concentrated under reduced pressure, precipitated solid, filtered, dehydrated calcium oxide dehydration agent, sodium bromide solution, washed 72percent pyridine solution, mass fraction of 78percent ethyl acetate solution recrystallization, In a 250 mL round bottom flask 5 g (32.77 mmol, 1.0 eq) of 2-amino-6-chlorobenzonitrile Was dissolved in 50 mL of 30percent potassium hydroxide (KOH) 3 mL of hydrogen peroxide (H 2 O 2) was added and refluxed overnight. After completion of the reaction, the reaction mixture was washed once with ether and dichloromethane, and acidified. After extraction with dichloromethane and ethyl acetate, the organic layer was separated and extracted with brine, and then the organic layer was dried (sodium sulfate) Filtered, and concentrated to give 2-amino-6-chlorobenzoic acid 5.31 g (30.95 mmol, 94percent yield) was obtained as an orange solidThe reaction mixture composed of 5 g of 2-amino-6-chlorobenzonitrile (32.77 mmol), 30percent potassium hydroxide (50 mL), and 30percent hydrogen peroxide aqueous solution (3 mL) was heat-refluxed for 12 hours, which was then cooled down at room temperature.
Used as pharmaceutical intermediate
Computed Properties
Molecular Weight:171.58
XLogP3:1.5
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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