5-Chloro-3-nitropyridine-2-carbonitrile
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5-Chloro-3-nitropyridine-2-carbonitrile
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CAS No:
181123-11-5
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Formula:
C6H2ClN3O2
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Chemical Name:
5-Chloro-3-nitropyridine-2-carbonitrile
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Synonyms:
5-CHLORO-2-CYANO-3-NITROPYRIDINE;5-CHLORO-3-NITRO-PYRIDINE-2-CARBONITRILE;2-PYRIDINECARBONITRILE, 5-CHLORO-3-NITRO-;2-cyano-3-nitro-5-chloropyridine;5-Chloro-3-nitro-2-cynopyridine;2-CYANO-5-CHLORO-3-NITROPYRIDINE;5-CHLORO-2-CYANO-3-NITROPYRIDINE 98+%;5-chloro-3-nitro-picolinonitrile
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CAS No:
5-Chloro-3-nitropyridine-2-carbonitrile Basic Attributes
183.55
182.983551
141226
DTXSID20301127
2933399090
Safety Information
IRRITANT
36/37/38
26-37
Xi
P260, P261, P264, P270, P271, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, P501
H301
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P261, P264, P270, P271, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P363, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
5-Chloro-3-nitropyridine-2-carbonitrile Use and Manufacturing
A mixture of 2-bromo-5-chloro-3-nitropyridine (2.8 g; 11.79 mmol) and copper(I) cyanide (1.40 g, 15.63 mmol) in DMF (30 mL)was stirred at 110°C for 1.5 h. The mixture was concentrated. The residue was diluted with water (60 mL), extracted three times with EtOAc (50 mL). The organic phase was washed with brine, dried over Na2SO4, filtered and concentrated. The residue was purified by columnchromatography (elution: DCM/Petroleum ether 1/1). The desired fractions were collected and concentrated to give 1.10 g of intermediate 521 (51percent yield) as a yellow solid.
Computed Properties
Molecular Weight:183.55
XLogP3:1.4
Hydrogen Bond Acceptor Count:4
Exact Mass:182.9835540
Monoisotopic Mass:182.9835540
Topological Polar Surface Area:82.5
Heavy Atom Count:12
Complexity:231
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-Chloro-3-nitropyridine-2-carbonitrile
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