4-(1,1-Dimethylethyl)-2-nitrobenzenamine
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4-(1,1-Dimethylethyl)-2-nitrobenzenamine
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CAS No:
6310-19-6
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Formula:
C10H14N2O2
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Chemical Name:
4-(1,1-Dimethylethyl)-2-nitrobenzenamine
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Synonyms:
Benzenamine,4-(1,1-dimethylethyl)-2-nitro-;Aniline,4-tert-butyl-2-nitro-;4-(1,1-Dimethylethyl)-2-nitrobenzenamine;4-tert-Butyl-2-Nitroaniline;2-Nitro-4-tert-butylaniline;NSC 43042
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CAS No:
4-(1,1-Dimethylethyl)-2-nitrobenzenamine Basic Attributes
194.23
194.23
228-632-4
43042
DTXSID90212438
2921420090
Safety Information
6.1
2811
20/21/22-36/37/38
26-36/37/39
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-(1,1-Dimethylethyl)-2-nitrobenzenamine Use and Manufacturing
Preparation 108 4-fe/f-Butyl-2-nitrophenylamine A reactor was charged with methanol (13.5 L) and N-(4-te/t-butyl-2-nitrophenyl) acetamide (Preparation 109, 7.0 kg, 29.6 mol). The mixture was stirred for ten minutes then a solution of 30percent sodium methoxide in methanol (6.49 L, 35.5 mol) was added slowly at room temperature. The mixture was heated slowly to reflux and held at that temperature for two hours. The methanol was distilled to dryness under vacuum at 50-55°C and the solids cooled to room temperature. The residue was stirred in water (35 L) for one hour and the solids collected by filtration, washed with water (14 L), and dried at 45-50°C to provide 5.3 kg of the title compound. 1H NMR (400MHz, CDCI
Computed Properties
Molecular Weight:194.23
XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:194.105527694
Monoisotopic Mass:194.105527694
Topological Polar Surface Area:71.8
Heavy Atom Count:14
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-(1,1-Dimethylethyl)-2-nitrobenzenamine
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