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4,5-Dimethoxy-2-nitroaniline

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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 Molecular Structure of 7595-31-5 (4,5-Dimethoxy-2-nitroaniline) 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

4,5-Dimethoxy-2-nitroaniline Synthetic route

99069-17-7

4-Acetylamino-1,2-dimethoxy-5-nitrobenzene

7595-31-5

4-amino-5-nitroveratrol

Conditions
ConditionsYield
With potassium hydroxide In methanol; water for 0.5h; Heating;95%
With hydrogenchloride
With hydrogenchloride

N-(4,5-dimethoxy-2-nitrophenyl)pyrimidin-2-amine

7595-31-5

4-amino-5-nitroveratrol

Conditions
ConditionsYield
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%
3395-03-7

4,5-dimethoxy-1,2-dinitrobenzene

7595-31-5

4-amino-5-nitroveratrol

Conditions
ConditionsYield
With benzophenone; triethylamine In isopropyl alcohol for 1h; Irradiation;19%
With ammonia at 150℃;
With ethanol; palladium Hydrogenation;
With hydrogenchloride; tin(ll) chloride
3395-03-7

4,5-dimethoxy-1,2-dinitrobenzene

124-40-3

dimethyl amine

A

7595-31-5

4-amino-5-nitroveratrol

B

20278-59-5

4,5-dinitro-2-methoxyaniline

C

2,4-diamino-5-nitroanisole

D

111611-40-6

5,6-dimethoxy-2,1,3-benzoxadiazole

E

5-dimethylamino-6-methoxybenzofurazane

F

N,N-dimethyl-4,5-dinitro-2-methoxyaniline

Conditions
ConditionsYield
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
3395-03-7

4,5-dimethoxy-1,2-dinitrobenzene

631-61-8

ammonium acetate

7595-31-5

4-amino-5-nitroveratrol

Conditions
ConditionsYield
at 130 - 135℃;
30710-17-9

3,4-dimethoxy-2-nitroaniline

A

7595-31-5

4-amino-5-nitroveratrol

B

99069-17-7

4-Acetylamino-1,2-dimethoxy-5-nitrobenzene

Conditions
ConditionsYield
With phosphoric acid; acetic acid at 140 - 160℃;
67-56-1

methanol

3395-03-7

4,5-dimethoxy-1,2-dinitrobenzene

7664-41-7

ammonia

7595-31-5

4-amino-5-nitroveratrol

Conditions
ConditionsYield
at 150℃;
at 125℃;
7647-01-0

hydrogenchloride

3395-03-7

4,5-dimethoxy-1,2-dinitrobenzene

tin (II)-chloride

tin (II)-chloride

7595-31-5

4-amino-5-nitroveratrol

86119-84-8, 7664-38-2

phosphoric acid

30710-17-9

3,4-dimethoxy-2-nitroaniline

64-19-7

acetic acid

A

7595-31-5

4-amino-5-nitroveratrol

B

99069-17-7

4-Acetylamino-1,2-dimethoxy-5-nitrobenzene

Conditions
ConditionsYield
at 140 - 160℃;

acetoacetic acid-(4,5-dimethoxy-2-nitro-anilide)

mineral oil

mineral oil

7595-31-5

4-amino-5-nitroveratrol

Conditions
ConditionsYield
at 230℃;

4,5-Dimethoxy-2-nitroaniline Specification

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

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