2-Chloro-6-nitrobenzaldehyde
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2-Chloro-6-nitrobenzaldehyde
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CAS No:
6361-22-4
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Formula:
C7H4ClNO3
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Chemical Name:
2-Chloro-6-nitrobenzaldehyde
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Synonyms:
Benzaldehyde,2-chloro-6-nitro-;2-Chloro-6-nitrobenzaldehyde;6-Chloro-2-nitrobenzaldehyde;1-Chloro-2-formyl-3-nitrobenzene
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CAS No:
Safety Information
NONH for all modes of transport
3
36/37/38
26-37/39-36
Xi
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 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-Chloro-6-nitrobenzaldehyde Use and Manufacturing
This example concerns the synthesis of Aldehyde 4: To a stirred solution of1 (18.53 g, 108.0 mmol) in dry DMF (240 mL) was added N, JV-dimethylformamide dimethyl acetal (DMF'DMA) (39.5 g, 44.0 mL, 331 mmol). After heating at 140°C for 16 h, the dark red solution was cooled to 0°C and added slowly, over 1 h via cannula, to a rapidly stirred solution OfNaIO (556.5 mg, 3.0 mmol), methyl mercaptoacetate (274 uL, 3.0 mmol), K2C03 (414 mg, 3.0 mmol) and DMF (10 mL) were added to a 50 ml round bottom flask, and stirred at 60 C overnight. The DMF was removed in vacuo, and the crude residue was dissolved in ethyl acetate (30 ml) and water (10 mL). The layers were separated and the aqueous layer was extracted with ethyl acetate (2x). The combined organics were dried (MgSO4) and concentrated to give title compound (621 mg, 92%). 'H NMR (CDCI3, 400 MHz) oe 8.15 (d, IH, J 0.4 Hz), 7.68 (ddd, 1H, J 0.8, 1.6, 7.2 Hz), 7.357.31 (m, 2H), 3.89 (s, 3H).
Computed Properties
Molecular Weight:185.56
XLogP3:1.9
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:184.9879707
Monoisotopic Mass:184.9879707
Topological Polar Surface Area:62.9
Heavy Atom Count:12
Complexity:192
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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