CAS No.7509-11-7,4,5-DIMETHOXY-2-NITROTOLUENE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	7509-11-7
Name:	4,5-DIMETHOXY-2-NITROTOLUENE
Article Data:	15

Formula:	C₃₉H₁₁NO₄
Molecular Weight:	197.191
Synonyms:	Homoveratrole,5-nitro- (4CI);Toluene, 4,5-dimethoxy-2-nitro- (7CI);Veratrole,4-methyl-5-nitro- (6CI);1,2-Dimethoxy-4-methyl-5-nitrobenzene;4,5-Dimethoxy-2-nitrotoluene;5-Nitrohomoveratrole;NSC 105304;NSC 407251;
Density:	1.191g/cm³
Melting Point:	119-120°C
Boiling Point:	317.7 °C at 760 mmHg
Flash Point:	147.3 °C
Hazard Symbols:	Xi
PSA:	64.28000
LogP:	2.44360

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Specification

The Benzene,1,2-dimethoxy-4-methyl-5-nitro- with CAS registry number of 7509-11-7 is also called 1,2-Dimethoxy-4-methyl-5-nitrobenzene. Its molecular formula is C₉H₁₁NO₄, and molecular weight is 179.19. Its IUPAC name is 1,2-dimethoxy-4-methyl-5-nitrobenzene.

Physical properties about this chemical are: (1) ACD/LogP: 2.62; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.62; (4) ACD/LogD (pH 7.4): 2.62; (5) ACD/BCF (pH 5.5): 57.28; (6) ACD/BCF (pH 7.4): 57.28; (7) ACD/KOC (pH 5.5): 630.94; (8) ACD/KOC (pH 7.4): 630.94; (9) #H bond acceptors: 5; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 3; (12) Polar Surface Area: 64.28 Å²; (13) Index of Refraction: 1.528; (14) Molar Refractivity: 50.98 cm³; (15) Molar Volume: 165.5 cm³; (16) Polarizability: 20.21×10^-24 cm³; (17) Surface Tension: 39 dyne/cm; (18) Density: 1.191 g/cm³; (19) Flash Point: 147.3 °C; (20) Enthalpy of Vaporization: 53.69 kJ/mol; (21) Boiling Point: 317.7 °C at 760 mmHg; (22) Vapour Pressure: 0.000704 mmHg at 25°C.

Preparation of Benzene,1,2-dimethoxy-4-methyl-5-nitro-: this chemical can be prepared by (4,5-dimethoxy-2-methyl-phenyl)-(3,4-dimethoxy-phenyl)-methane.

The reaction needs reagent cerium(IV) ammonium nitrate and HOAc. The yield is 54%.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1c(cc(OC)c(OC)c1)C;
(2) InChI: InChI=1/C9H11NO4/c1-6-4-8(13-2)9(14-3)5-7(6)10(11)12/h4-5H,1-3H3;
(3) InChIKey: BNJRARLHTLUQCH-UHFFFAOYAH;
(4) Std. InChI: InChI=1S/C9H11NO4/c1-6-4-8(13-2)9(14-3)5-7(6)10(11)12/h4-5H,1-3H3;
(5) Std. InChIKey: BNJRARLHTLUQCH-UHFFFAOYSA-N