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CAS No.: | 4920-84-7 |
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Name: | 2,4-Dimethoxy-1-nitrobenzene |
Article Data: | 42 |
Molecular Structure: | |
Formula: | C8H9NO4 |
Molecular Weight: | 183.164 |
Synonyms: | 1,3-Dimethoxy-4-nitrobenzene;2,4-Dimethoxy-1-nitrobenzene;2,4-Dimethoxynitrobenzene;NSC 62004; |
EINECS: | 225-551-6 |
Density: | 1.226 g/cm3 |
Melting Point: | 72-76 °C(lit.) |
Boiling Point: | 317.9 °C at 760 mmHg |
Flash Point: | 156.7 °C |
Appearance: | yellow crystals |
Safety: | 24/25-22 |
PSA: | 64.28000 |
LogP: | 2.13520 |
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The 2,4-Dimethoxy-1-nitrobenzene with its cas register number is 4920-84-7. It also can be called as Benzene,2,4-dimethoxy-1-nitro- and the Systematic name about this chemical is 2,4-dimethoxy-1-nitrobenzene. It belongs to the following product categories, such as Nitro Compounds, Nitrogen Compounds, Organic Building Blocks and so on. When you are using it, do not smoke and avoid contact with skin and eyes.
Physical properties about 2,4-Dimethoxy-1-nitrobenzene are: (1)ACD/LogP: 1.69; (2)ACD/LogD (pH 5.5): 1.69; (3)ACD/LogD (pH 7.4): 1.69; (4)ACD/BCF (pH 5.5): 11.37; (5)ACD/BCF (pH 7.4): 11.37; (6)ACD/KOC (pH 5.5): 198.35; (7)ACD/KOC (pH 7.4): 198.35; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 64.28Å2; (11)Index of Refraction: 1.53; (12)Molar Refractivity: 46.15 cm3; (13)Molar Volume: 149.2 cm3; (14)Polarizability: 18.29x10-24cm3; (15)Surface Tension: 40.2 dyne/cm; (16)Enthalpy of Vaporization: 53.71 kJ/mol; (17)Vapour Pressure: 0.000695 mmHg at 25°C.
Preparation: this chemical can be prepared by 1,3-dimethoxy-benzene. This reaction is a kind of Nitration. This reaction will need reagent NO2 and solvent CH2Cl2. The reaction time is 0.5 hour(s) with reaction temperature of -10 ℃. The yield is about 38%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC(=C(C=C1)[N+](=O)[O-])OC
(2)InChI: InChI=1S/C8H9NO4/c1-12-6-3-4-7(9(10)11)8(5-6)13-2/h3-5H,1-2H3
(3)InChIKey: XXWIYOBCHKCWNT-UHFFFAOYSA-N