4-Amino-3-nitrobenzaldehyde
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4-Amino-3-nitrobenzaldehyde
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CAS No:
51818-99-6
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Formula:
C7H6N2O3
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Chemical Name:
4-Amino-3-nitrobenzaldehyde
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Synonyms:
Benzaldehyde,4-amino-3-nitro-;4-Amino-3-nitrobenzaldehyde;3-Nitro-4-aminobenzaldehyde
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CAS No:
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, 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-Amino-3-nitrobenzaldehyde Use and Manufacturing
4-Acetamido-3-nitrobenzaldehyde (2.08 g, 10 mmol) was dissolved in methanol (200 mL). The solution was added with aqueous 2 N HCl (50 mL), and refluxed by heating at 80°C for 8 hours under an argon flow. The reaction mixture was concentrated under reduced pressure to remove the methanol, and the residue was made basic with aqueous 2 N NaOH, and extracted 5 times with dichloromethane. The organic phases were combined, dried over anhydrous Na2SO4, and concentrated under reduced pressure to obtain the target compound as yellow solid (1.62 g, yield: 98percent).1H-NMR (300 MHz, CDCl3) 6.91 (1H, d, J=8.58Hz), 7.92 (1H, dd, J=8.58, 2.01Hz), 8.63 (1H, d, J=2.01Hz), 9.82 (1H, s) MS (El): 166 (M+)b. 4-Atnino-3-nitrobenzaldehyde To a solution of 4-fluoro-3-nitro-benzaldehyde (570 mg, 3.3 mmol) in THF (20 mL) was added NH
Computed Properties
Molecular Weight:166.13
XLogP3:0.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:166.03784206
Monoisotopic Mass:166.03784206
Topological Polar Surface Area:88.9
Heavy Atom Count:12
Complexity:190
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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