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Benzenamine,4,5-dimethoxy-2-nitro- (7595-31-5)

Identification
Name:Benzenamine,4,5-dimethoxy-2-nitro-
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;
CAS:7595-31-5
Molecular Formula: C8H10N2O4
Molecular Weight: 198.176
InChI: InChI=1/C8H10N2O4/c1-13-7-3-5(9)6(10(11)12)4-8(7)14-2/h3-4H,9H2,1-2H3
Molecular Structure: (C8H10N2O4) Aniline,4,5-dimethoxy-2-nitro- (7CI,8CI);2-Nitro-4,5-dimethoxyaniline;3,4-Dimethoxy-6-nitroaniline;4...
Properties
Flash Point: 383 °C at 760 mmHg
Boiling Point: 383 °C at 760 mmHg
Density:1.307 g/cm3
Refractive index:1.579
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

Flash Point: 383 °C at 760 mmHg
Safety Data
 

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