Benzeneethanamine, 4-nitro-, hydrochloride (1:1)
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Benzeneethanamine, 4-nitro-, hydrochloride (1:1)
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CAS No:
29968-78-3
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Formula:
C8H10N2O2.ClH
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Chemical Name:
Benzeneethanamine, 4-nitro-, hydrochloride (1:1)
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Synonyms:
Benzeneethanamine,4-nitro-,hydrochloride (1:1);Benzeneethanamine,4-nitro-,monohydrochloride;Phenethylamine,p-nitro-,monohydrochloride;2-(4-Nitrophenyl)ethylamine hydrochloride;p-Nitrophenethylamine hydrochloride;4-Nitrophenethylamine hydrochloride;β-(p-Nitrophenyl)ethylamine hydrochloride;4-Nitrobenzeneethanamine monohydrochloride;2-(4-Nitrophenyl)ethanamine hydrochloride;p-Nitrophenylethylamine hydrochloride;2-(4-Nitrophenyl)ethan-1-amine hydrochloride
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CAS No:
Benzeneethanamine, 4-nitro-, hydrochloride (1:1) Basic Attributes
202.64
202.050903
249-980-3
2921499090
Characteristics
71.8
3.12150
Yellow to yellow-green Crystalline Powder
1.206g/cm3
209-210 °C
307.2ºC at 760 mmHg
139.6ºC
soluble in methanol almost transparency.
0-6°C
0.000737mmHg at 25°C
Safety Information
NONH for all modes of transport
3
36/37/38-40
22-24/25-36-26
Xn
Stable under normal temperatures and pressures.
P201, P202, P264, P280, P281, P302+P352, P305+P351+P338, P308+P313, P321, P332+P313, P337+P313, P362, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P201, P202, P264, P280, P281, P302+P352, P305+P351+P338, P308+P313, P321, P332+P313, P337+P313, P362, P405, and P501|Aggregated GHS information provided by 10 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Benzeneethanamine, 4-nitro-, hydrochloride (1:1) Use and Manufacturing
140 kg of intermediate 2 was dissolved in 190 kg of ethanol in a reaction kettle, and dissolved under constant stirring, the pH was adjusted to 1 with 2mol/L hydrochloric acid, and the reaction solution was heated to 80° C for 20 hours, after the reaction was completed, the reaction solution was cooled to room temperature and solids precipitated, the crude product was recrystallized from methanol to give 116 Kg of finished p-nitrophenylethylamine hydrochloride after filtration and centrifugation, the final product purity was 99.6percent, and the yield of this step was 84.7percent.In the reactor 148 kg intermediate 2 dissolved in 175 kg in methanol, and in the under continuously stirring to dissolve them, for 1 mol/L hydrochloric acid to adjust the pH to 3, the reaction liquid is heated to 75 °C reflux 15 h, to the end of the reaction the reaction cooling to the room temperature solid is separated out, filtering centrifugal to obtain the crude product, the crude product recrystallized from methanol 112 kg finished product to the nitrobenzene ethylamine hydrochloride, the final product has a purity of 99.2percent, this step and the yield is 82.4percent.4-Methyl-N-[2-(4-nitro-phenyl)-ethyl]-benzenesulfonamide: A solution of 3.0 g of 4-nitrophenylethylamine hydrochloride, 20.6 mL triethylamine in 120 mL THF is treated with 2.81 g of p-toluenesulfonyl chloride. The reaction is stirred for 65 h, concentrated, and redissolved in CH2Cl2. The solution is washed with water and saturated sodium bicarbonate solution and then dried. Trituration with methanol and washing with ether gives 3.47 g of desired product.
Biochemical research
Computed Properties
Molecular Weight:202.64
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:202.0509053
Monoisotopic Mass:202.0509053
Topological Polar Surface Area:71.8
Heavy Atom Count:13
Complexity:148
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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