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Name |
4,5-Dimethoxy-2-nitroaniline |
EINECS | N/A |
CAS No. | 7595-31-5 | Density | 1.307 g/cm3 |
PSA | 90.30000 | LogP | 2.29860 |
Solubility | N/A | Melting Point |
171 °C |
Formula | C8H10N2O4 | Boiling Point | 383 °C at 760 mmHg |
Molecular Weight | 198.178 | Flash Point | 185.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Aniline,4,5-dimethoxy-2-nitro- (7CI,8CI);2-Nitro-4,5-dimethoxyaniline;3,4-Dimethoxy-6-nitroaniline;4,5-Dimethoxy-2-nitroaniline;4-Amino-5-nitroveratrole; |
Article Data | 20 |
4-Acetylamino-1,2-dimethoxy-5-nitrobenzene
4-amino-5-nitroveratrol
Conditions | Yield |
---|---|
With potassium hydroxide In methanol; water for 0.5h; Heating; | 95% |
With hydrogenchloride | |
With hydrogenchloride |
4-amino-5-nitroveratrol
Conditions | Yield |
---|---|
Stage #1: N-(4,5-dimethoxy-2-nitrophenyl)pyrimidin-2-amine With triethylsilane; trifluoroacetic acid at 50℃; Inert atmosphere; Stage #2: With acetic acid; hydrazine In methanol at 20℃; Inert atmosphere; regioselective reaction; | 76% |
Conditions | Yield |
---|---|
With benzophenone; triethylamine In isopropyl alcohol for 1h; Irradiation; | 19% |
With ammonia at 150℃; | |
With ethanol; palladium Hydrogenation; | |
With hydrogenchloride; tin(ll) chloride |
4,5-dimethoxy-1,2-dinitrobenzene
dimethyl amine
A
4-amino-5-nitroveratrol
B
4,5-dinitro-2-methoxyaniline
D
5,6-dimethoxy-2,1,3-benzoxadiazole
Conditions | Yield |
---|---|
In methanol for 4h; Product distribution; Mechanism; Irradiation; different amines, reagents, solvent and reaction time; | A 19% B n/a C n/a D 13% E n/a F n/a |
Conditions | Yield |
---|---|
at 130 - 135℃; |
3,4-dimethoxy-2-nitroaniline
A
4-amino-5-nitroveratrol
B
4-Acetylamino-1,2-dimethoxy-5-nitrobenzene
Conditions | Yield |
---|---|
With phosphoric acid; acetic acid at 140 - 160℃; |
methanol
4,5-dimethoxy-1,2-dinitrobenzene
ammonia
4-amino-5-nitroveratrol
Conditions | Yield |
---|---|
at 150℃; | |
at 125℃; |
phosphoric acid
3,4-dimethoxy-2-nitroaniline
acetic acid
A
4-amino-5-nitroveratrol
B
4-Acetylamino-1,2-dimethoxy-5-nitrobenzene
Conditions | Yield |
---|---|
at 140 - 160℃; |
4-amino-5-nitroveratrol
Conditions | Yield |
---|---|
at 230℃; |
The 4,5-Dimethoxy-2-nitroaniline, with the CAS registry number 7595-31-5, is also known as Benzenamine, 4,5-dimethoxy-2-nitro-. This chemical's molecular formula is C8H10N2O4 and molecular weight is 198.18. Its IUPAC name is called 4,5-dimethoxy-2-nitroaniline.
Physical properties about this chemical are: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.91; (4)ACD/LogD (pH 7.4): 1.91; (5)ACD/BCF (pH 5.5): 16.74; (6)ACD/BCF (pH 7.4): 16.74; (7)ACD/KOC (pH 5.5): 261.62; (8)ACD/KOC (pH 7.4): 261.62; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.579; (13)Molar Refractivity: 50.39 cm3; (14)Molar Volume: 151.5 cm3; (15)Surface Tension: 49.4 dyne/cm; (16)Density: 1.307 g/cm3; (17)Flash Point: 185.4 °C; (18)Enthalpy of Vaporization: 63.15 kJ/mol; (19)Boiling Point: 383 °C at 760 mmHg; (20)Vapour Pressure: 4.54E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=C(C(=C1)N)[N+](=O)[O-])OC
(2)InChI: InChI=1S/C8H10N2O4/c1-13-7-3-5(9)6(10(11)12)4-8(7)14-2/h3-4H,9H2,1-2H3
(3)InChIKey: LDAJFLKWQVYIFG-UHFFFAOYSA-N