4-Chloro-3-nitroquinoline
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4-Chloro-3-nitroquinoline
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CAS No:
39061-97-7
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Formula:
C9H5ClN2O2
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Chemical Name:
4-Chloro-3-nitroquinoline
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Synonyms:
QUINOLINE, 4-CHLORO-3-NITRO-;4-CHLORO-3-NITROQUINOLINE;4-Chloro-3-nitroquinoline ,98%;3-Nitro-4-chloroquinoline;4-Chloro-3-nitroqulinoline
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CAS No:
Characteristics
58.7
2.6
White to off-white crystalline powder
1.5±0.1 g/cm3
121-122°C
333°C at 760 mmHg
155.7±22.3 °C
1.688
-20°C Freezer, Under Inert Atmosphere
Safety Information
III
6.1(b)
UN 3288 6.1/PG 2
3
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed . R34:Causes burns.
24/25
T
|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.
4-Chloro-3-nitroquinoline Use and Manufacturing
The Intermediate 3-nitro-4-hydroxyquinoline 70 (18.7 g, 98.4 mmol) was suspended in dichloromethane (150 mL). 4-chloro-3-nitroquinoline 3-Nitro-4-chIoroquinoIine (compound 6); Compound 6 was prepared as described elsewhere [Van Galen, P. J. M. et. al. 1- H-imidazo[4, 5-c]quinolin-4-amines: Novel Non-Xanthine Adenosine Antagonists. J. Med. Chem. 1991, 34, 1202-1206]. In brief, 3-Nitro-4-hydroxyquinoline 5 (5.7 g, 30 mmol) was added to phosphorus oxychlσride (70.0 g, 41.2 ml, 450 mmol) with stirring. Phosphorus oxychloride (2.5 mL, 27 mmol) was added dropwise to a mixture of 3-nitroquinolin-4-ol (4.6 g, 24 mmol) and 100 mL of DMF. The mixture was heated at 100 °C for 15 min, and then poured onto stirred ice. The slurry was neutralized with solid NaHC0
Computed Properties
Molecular Weight:208.60
XLogP3:2.6
Hydrogen Bond Acceptor Count:3
Exact Mass:208.0039551
Monoisotopic Mass:208.0039551
Topological Polar Surface Area:58.7
Heavy Atom Count:14
Complexity:231
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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