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CAS No.: | 67827-72-9 |
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Name: | 2-Methoxy-5-nitroaniline hydrochloride |
Molecular Structure: | |
Formula: | C7H8N2O3.HCl |
Molecular Weight: | 204.613 |
Synonyms: | Benzenamine,2-methoxy-5-nitro-, monohydrochloride (9CI);o-Anisidine, 5-nitro-,hydrochloride (5CI);2-Methoxy-5-nitroaniline hydrochloride; |
EINECS: | 267-234-5 |
Density: | 1.318[at 20℃] |
Melting Point: | 119-123 °C |
Boiling Point: | 351.8 °C at 760 mmHg |
Flash Point: | 166.6 °C |
Solubility: | 297g/L at 25℃ |
Hazard Symbols: | N,T |
Risk Codes: | R50/53; R23/24/25 |
PSA: | 81.07000 |
LogP: | 3.09200 |
2-methoxy-5-nitroaniline hydrochloride
acetic anhydride
N-(2-methoxy-5-nitrophenyl)acetamide
Conditions | Yield |
---|---|
at 80℃; for 8h; | 93.48% |
2-methoxy-5-nitroaniline hydrochloride
3-amino-4-methoxynitrobenzene
Conditions | Yield |
---|---|
With sodium hydroxide In water pH=8; | 83.7% |
2-methoxy-5-nitroaniline hydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 8 h / 80 °C 2: methanesulfonic acid; N-Bromosuccinimide / 12 h / 25 °C / Cooling with ice 3: potassium iodide / N,N-dimethyl-formamide / 8 h / 120 °C View Scheme |
2-methoxy-5-nitroaniline hydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1.1: 8 h / 80 °C 2.1: methanesulfonic acid; N-Bromosuccinimide / 12 h / 25 °C / Cooling with ice 3.1: potassium iodide / N,N-dimethyl-formamide / 8 h / 120 °C 4.1: copper(l) iodide / methanol; 1,4-dioxane / 12 h / 90 °C 4.2: 4 h / 80 °C View Scheme |
2-methoxy-5-nitroaniline hydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 8 h / 80 °C 2: methanesulfonic acid; N-Bromosuccinimide / 12 h / 25 °C / Cooling with ice 3: iron; acetic acid / 6 h / 75 - 80 °C View Scheme |
2-methoxy-5-nitroaniline hydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1.1: 8 h / 80 °C 2.1: methanesulfonic acid; N-Bromosuccinimide / 12 h / 25 °C / Cooling with ice 3.1: iron; acetic acid / 6 h / 75 - 80 °C 4.1: hydrogenchloride / water / 1 h / -25 °C 4.2: 0.25 h / -10 °C View Scheme |
2-methoxy-5-nitroaniline hydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 5 steps 1.1: 8 h / 80 °C 2.1: methanesulfonic acid; N-Bromosuccinimide / 12 h / 25 °C / Cooling with ice 3.1: iron; acetic acid / 6 h / 75 - 80 °C 4.1: hydrogenchloride / water / 1 h / -25 °C 4.2: 0.25 h / -10 °C 5.1: hydrogenchloride / water; ethanol / 8 h / Reflux View Scheme |
2-methoxy-5-nitroaniline hydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 6 steps 1.1: 8 h / 80 °C 2.1: methanesulfonic acid; N-Bromosuccinimide / 12 h / 25 °C / Cooling with ice 3.1: iron; acetic acid / 6 h / 75 - 80 °C 4.1: hydrogenchloride / water / 1 h / -25 °C 4.2: 0.25 h / -10 °C 5.1: hydrogenchloride / water; ethanol / 8 h / Reflux 6.1: dichloromethane / 24 h / 20 °C View Scheme |
2-methoxy-5-nitroaniline hydrochloride
4,5-dimethoxy-1H-pyrrolo<2,3-f>quinoline-2,7,9-tricarboxylic acid
Conditions | Yield |
---|---|
Multi-step reaction with 7 steps 1.1: 8 h / 80 °C 2.1: methanesulfonic acid; N-Bromosuccinimide / 12 h / 25 °C / Cooling with ice 3.1: iron; acetic acid / 6 h / 75 - 80 °C 4.1: hydrogenchloride / water / 1 h / -25 °C 4.2: 0.25 h / -10 °C 5.1: hydrogenchloride / water; ethanol / 8 h / Reflux 6.1: dichloromethane / 24 h / 20 °C 7.1: copper(l) iodide / methanol; 1,4-dioxane / 8 h / Reflux View Scheme |
2-methoxy-5-nitroaniline hydrochloride
Conditions | Yield |
---|---|
Multi-step reaction with 7 steps 1.1: 8 h / 80 °C 2.1: methanesulfonic acid; N-Bromosuccinimide / 12 h / 25 °C / Cooling with ice 3.1: iron; acetic acid / 6 h / 75 - 80 °C 4.1: hydrogenchloride / water / 1 h / -25 °C 4.2: 0.25 h / -10 °C 5.1: hydrogenchloride / water; ethanol / 8 h / Reflux 6.1: dichloromethane / 24 h / 20 °C 7.1: copper(l) iodide / 1,4-dioxane / 8 h / Reflux View Scheme |
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The 2-Methoxy-5-nitroaniline hydrochloride, with the cas registry number 67827-72-9 and EINECS registry number 267-234-5, is also called 2-Methoxy-5-nitroanilinium chloride. And the molecular formula of the chemical is C7H8N2O3.HCl.
The characteristics of this chemical are as followings: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.69; (4)ACD/LogD (pH 7.4): 1.69; (5)ACD/BCF (pH 5.5): 11.37; (6)ACD/BCF (pH 7.4): 11.38; (7)ACD/KOC (pH 5.5): 198.3; (8)ACD/KOC (pH 7.4): 198.47; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 58.29 Å2; (13)Flash Point: 166.6 °C; (14)Enthalpy of Vaporization: 59.65 kJ/mol; (15)Boiling Point: 351.8 °C at 760 mmHg; (16)Vapour Pressure: 4.01E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cl.[O-][N+](=O)c1ccc(OC)c(N)c1
(2)InChI: InChI=1/C7H8N2O3.ClH/c1-12-7-3-2-5(9(10)11)4-6(7)8;/h2-4H,8H2,1H3;1H
(3)InChIKey: JBBNYKPRONOPHN-UHFFFAOYAJ