2-Methoxy-5-nitroaniline hydrochloride supplier

Name
2-Methoxy-5-nitroaniline hydrochloride
EINECS 267-234-5
CAS No. 67827-72-9
Density 1.318[at 20℃]
Solubility 297g/L at 25℃
Melting Point 119-123 °C
Formula C₇H₈N₂O₃^.HCl
Boiling Point 351.8 °C at 760 mmHg
Molecular Weight 204.613
Flash Point 166.6 °C
Transport Information
Appearance
Safety
Risk Codes R50/53; R23/24/25
Molecular Structure
Hazard Symbols N,T
Synonyms Benzenamine,2-methoxy-5-nitro-, monohydrochloride (9CI);o-Anisidine, 5-nitro-,hydrochloride (5CI);2-Methoxy-5-nitroaniline hydrochloride;
PSA 81.07000
LogP 3.09200

Synthetic route

: 67827-72-9
2-methoxy-5-nitroaniline hydrochloride

: 108-24-7
acetic anhydride

: 33721-54-9
N-(2-methoxy-5-nitrophenyl)acetamide

Conditions

Conditions	Yield
at 80℃; for 8h;	93.48%

: 67827-72-9
2-methoxy-5-nitroaniline hydrochloride

: 99-59-2
3-amino-4-methoxynitrobenzene

Conditions

Conditions	Yield
With sodium hydroxide In water pH=8;	83.7%

: 67827-72-9
2-methoxy-5-nitroaniline hydrochloride

: C9H9IN2O4

Conditions

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

: 67827-72-9
2-methoxy-5-nitroaniline hydrochloride

: acetic acid-(2,3-dimethoxy-5-nitro-anilide)

Conditions

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

: 67827-72-9
2-methoxy-5-nitroaniline hydrochloride

: C9H11BrN2O2

Conditions

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

: 67827-72-9
2-methoxy-5-nitroaniline hydrochloride

: C15H16BrNO4

Conditions

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

: 67827-72-9
2-methoxy-5-nitroaniline hydrochloride

: C13H14BrNO3

Conditions

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

: 67827-72-9
2-methoxy-5-nitroaniline hydrochloride

: triethyl 4-bromo-5-methoxy-1H-pyrrolo(2,3-f)quinoline-2,7,9-tricarboxylate

Conditions

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

: 67827-72-9
2-methoxy-5-nitroaniline hydrochloride

: 81770-66-3
4,5-dimethoxy-1H-pyrrolo<2,3-f>quinoline-2,7,9-tricarboxylic acid

Conditions

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

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

: 67827-72-9
2-methoxy-5-nitroaniline hydrochloride

: triethyl 4-ethoxy-5-methoxy-1H-pyrrolo(2,3-f)quinoline-2,7,9-tricarboxylate

Conditions

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

: 67827-72-9
2-methoxy-5-nitroaniline hydrochloride

: 2-ethyl 7,9-dimethyl 4-bromo-5-methoxy-1H-pyrrolo(2,3-f)quinoline-2,7,9-tricarboxylate

Conditions

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

: 67827-72-9
2-methoxy-5-nitroaniline hydrochloride

: 79127-57-4
4,5-dihydroxy-4,5-dioxo-1H-pyrrolo{2,3-f}quinoline-2,7,9-tricarboxylic acid

Conditions

Conditions	Yield
Multi-step reaction with 8 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 8.1: acetic acid; hydrogen iodide / 8 h / Reflux View Scheme
Multi-step reaction with 9 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 8.1: sodium hydroxide / 6 h / Reflux 9.1: acetic acid; hydrogen iodide / 8 h / Reflux View Scheme

Yield

Multi-step reaction with 8 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
8.1: acetic acid; hydrogen iodide / 8 h / Reflux
View Scheme

Multi-step reaction with 9 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
8.1: sodium hydroxide / 6 h / Reflux
9.1: acetic acid; hydrogen iodide / 8 h / Reflux
View Scheme

: 67827-72-9
2-methoxy-5-nitroaniline hydrochloride

: 72909-34-3
pyrroloquinoline quinone

Conditions

Conditions	Yield
Multi-step reaction with 10 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 8.1: sodium hydroxide / 6 h / Reflux 9.1: acetic acid; hydrogen iodide / 8 h / Reflux 10.1: dihydrogen peroxide / 24 h / 35 °C View Scheme
Multi-step reaction with 9 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 8.1: acetic acid; hydrogen iodide / 8 h / Reflux 9.1: dihydrogen peroxide / 24 h / 35 °C View Scheme

Yield

Multi-step reaction with 10 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
8.1: sodium hydroxide / 6 h / Reflux
9.1: acetic acid; hydrogen iodide / 8 h / Reflux
10.1: dihydrogen peroxide / 24 h / 35 °C
View Scheme

Multi-step reaction with 9 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
8.1: acetic acid; hydrogen iodide / 8 h / Reflux
9.1: dihydrogen peroxide / 24 h / 35 °C
View Scheme

: 67827-72-9
2-methoxy-5-nitroaniline hydrochloride

: C17H14N2O8

Conditions

Conditions	Yield
Multi-step reaction with 8 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 8.1: sodium hydroxide / 6 h / Reflux View Scheme

Yield

Multi-step reaction with 8 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
8.1: sodium hydroxide / 6 h / Reflux
View Scheme

: 67827-72-9
2-methoxy-5-nitroaniline hydrochloride

: C9H9BrN2O4

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 8 h / 80 °C 2: methanesulfonic acid; N-Bromosuccinimide / 12 h / 25 °C / Cooling with ice View Scheme

: 67827-72-9
2-methoxy-5-nitroaniline hydrochloride

: C9H9ClN2O4

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 8 h / 80 °C 2: sulfuric acid; N-chloro-succinimide / 36 h / 50 °C / Cooling with ice View Scheme

2-Methoxy-5-nitroaniline hydrochloride Specification

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

Product Name

2-Methoxy-5-nitroaniline hydrochloride

Synthetic route

2-Methoxy-5-nitroaniline hydrochloride Specification

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