2-Amino-3-chlorobenzonitrile
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2-Amino-3-chlorobenzonitrile
structure -
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CAS No:
53312-77-9
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Formula:
C7H5ClN2
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Chemical Name:
2-Amino-3-chlorobenzonitrile
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Synonyms:
Benzonitrile,2-amino-3-chloro-;2-Amino-3-chlorobenzonitrile;2-Chloro-6-cyanoaniline;3-Chloro-2-aminobenzonitrile;2-Cyano-6-chloroaniline
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CAS No:
Safety Information
6.1
3439
3
R36/37/38:Irritating to eyes, respiratory system and skin .
S26-S36
Xi
|Danger|H301 (80%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 5 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Amino-3-chlorobenzonitrile Use and Manufacturing
2, 6-dichloroaniline in 100 ml round-bottomed flask XXXI4. 84 g, 0.03 mol, 12 ml of N- methylpyrrolidone, referred to as NMP and dissolved at 80 ° C after sufficient stirring, cuprous cyanide was added portionwise 3.5 g, 0.04 mol, added after this system was increased to 150-170 degrees Celsius, the reaction at this temperature for 0.5 hours, cooled to 80 ° C, then cuprous cyanide . 3.5 g, 004 mol was added portionwise, after completion of this heating system 150-170 ° C, for 20 hours; then cooled to 60 ° C, poured into a mixed solvent of 30 ml aqueous ammonia and 30 ml ice water, stirred for 1 hours, filtered, the filtrate was collected by filtration and the resulting precipitate was washed with methylene chloride. The methylene chloride layer is separated, dried over anhydrous sodium sulfate, and concentrated to a volume ratio of ethyl acetate: petroleum ether = 1: 10 Column chromatography of the mixed solvent. The first is to elute 1.1 g of 2, 6-dichloro-aniline, and the aniline is 2-chloro-6-cyano XXXIII. 5 g, yield 33percent, and finally is rinsed out 2, 6 dicyano aniline XXXII10. 17 g, yield 3.96percent.
Computed Properties
Molecular Weight:152.58
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Exact Mass:152.0141259
Monoisotopic Mass:152.0141259
Topological Polar Surface Area:49.8
Heavy Atom Count:10
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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