The Molecular Structure of 1,2-(Methylenedioxy)-4-nitrobenzene (CAS NO.2620-44-2):
Empirical Formula: C7H5NO4
Molecular Weight: 167.1189
IUPAC Name: 5-nitro-1,3-benzodioxole
Product Categories: Anilines, Aromatic Amines and Nitro Compounds;Aromatic Hydrocarbons (substituted) & Derivatives;Nitro Compounds;Nitrogen Compounds;Organic Building Blocks
Appearance: yellow fine crystalline powder
Nominal Mass: 167 Da
Average Mass: 167.1189 Da
Monoisotopic Mass: 167.021858 Da
Index of Refraction: 1.609
Molar Refractivity: 38.95 cm3
Molar Volume: 112.4 cm3
Surface Tension: 64 dyne/cm
Density: 1.486 g/cm3
Flash Point: 142.8 °C
Enthalpy of Vaporization: 49.6 kJ/mol
Boiling Point: 278.1 °C at 760 mmHg
Vapour Pressure: 0.00734 mmHg at 25°C
InChI
InChI=1/C7H5NO4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2
Smiles
O=[N+]([O-])c1ccc2OCOc2c1
Hazard Codes: XiXn
Risk Statements: 20/21/22
Safety Statements: 36
WGK Germany: 3
Hazard Note: Irritant
1,2-(Methylenedioxy)-4-nitrobenzene (CAS NO.2620-44-2) is also called as 1,2-(Methylenedioxy)-4-nitrobenzene ; 3,4-(Methylenedioxy)-1-nitrobenzene ; 5-Nitro-1,3-benzodioxole ; 5-Nitrobenzodioxole ; Benzene, 1,2-(methylenedioxy)-4-nitro- ; Methylenedioxynitrobenzene .
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