2,3-Dichloro-6-nitrobenzonitrile
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2,3-Dichloro-6-nitrobenzonitrile
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CAS No:
2112-22-3
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Formula:
C7H2Cl2N2O2
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Chemical Name:
2,3-Dichloro-6-nitrobenzonitrile
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Synonyms:
TIMTEC-BBSBB010021;5,6-Dichloro-2-nitrobenzonitrile;2,3-DICHLORO-6-NITROBENZONITRILE;2,3-Dichloro-6-nitrobenzonitrile97%
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CAS No:
Characteristics
69.6
2.7
Brown solid
1.6±0.1 g/cm3
93-96 °C(lit.)
343.7°C at 760 mmHg
161.6±27.9 °C
1.616
Refrigerator
6.94E-05mmHg at 25°C
Safety Information
NONH for all modes of transport
3
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
2,3-Dichloro-6-nitrobenzonitrile Use and Manufacturing
Preparation of 2, 3-Dichloro-6-nitrobenzonitrile A solution of 1.831 kg of 1, 2, 3-trichloro-4-nitrobenzene and 0.861 kg of copper cyanide in 1.21 L of DMF is heated to 155 C. for 2 hours, then cooled to room temperature. A solution of 3.24 kg of ferric chloride hexahydrate, 0.806 L of concentrated hydrochloric acid, and 4.87 L of water is added and the solution heated to 65 C. for 20 minutes. The mixture is cooled, stirred with 0.55 kg of charcoal and 4 L of toluene, and filtered. The organic phase is separated and the aqueous phase extracted with toluene. The combined toluene layers are washed with water and 6 N HCl, dried and concentrated to give a slurry. The slurry is dissolved in 1.5 L of methanol, and stored at 5 C. for 24 hours. The nitrile product is collected by filtration, washed with 1.5 L cold methanol and dried at 40 C.
Anagrelide
Computed Properties
Molecular Weight:217.01
XLogP3:2.7
Hydrogen Bond Acceptor Count:3
Exact Mass:215.9493327
Monoisotopic Mass:215.9493327
Topological Polar Surface Area:69.6
Heavy Atom Count:13
Complexity:257
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2,3-Dichloro-6-nitrobenzonitrile
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