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CAS No.: | 1016-58-6 |
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Name: | 4,5-DIMETHOXY-2-NITROBENZYL ALCOHOL |
Article Data: | 22 |
Molecular Structure: | |
Formula: | C9H11NO5 |
Molecular Weight: | 213.19 |
Synonyms: | Veratrylalcohol, 6-nitro- (7CI,8CI);2-Nitro-4,5-dimethoxybenzyl alcohol;4,5-Dimethoxy-2-nitrobenzyl alcohol;6-Nitroveratryl alcohol; |
EINECS: | 213-806-4 |
Density: | 1.307 g/cm3 |
Melting Point: | 145-148 °C(lit.) |
Boiling Point: | 383.9 °C at 760 mmHg |
Flash Point: | 186 °C |
Solubility: | Soluble in water. |
Appearance: | white to light yellow crystal powder |
Safety: | 22-24/25 |
PSA: | 84.51000 |
LogP: | 1.62750 |
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The 4,5-Dimethoxy-2-nitrobenzyl alcohol with its cas register number is 1016-58-6. It also can be called as and the IUPAC Name about this chemical is (4,5-dimethoxy-2-nitrophenyl)methanol. It belongs to the Benzhydrols, Benzyl & Special Alcohols. When you are using it, please not breathe dust and avoid contact with skin and eyes.
Physical properties about 4,5-Dimethoxy-2-nitrobenzyl alcohol are: (1)ACD/LogP: 0.97; (2)ACD/LogD (pH 5.5): 0.97; (3)ACD/LogD (pH 7.4): 0.97; (4)ACD/BCF (pH 5.5): 3.23; (5)ACD/BCF (pH 7.4): 3.23; (6)ACD/KOC (pH 5.5): 80.5; (7)ACD/KOC (pH 7.4): 80.5; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 73.51Å2; (12)Index of Refraction: 1.558; (13)Molar Refractivity: 52.6 cm3; (14)Molar Volume: 163 cm3; (15)Polarizability: 20.85x10-24cm3; (16)Surface Tension: 48.1 dyne/cm; (17)Enthalpy of Vaporization: 66.72 kJ/mol; (18)Vapour Pressure: 1.4E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=C(C(=C1)CO)[N+](=O)[O-])OC
(2)InChI: InChI=1S/C9H11NO5/c1-14-8-3-6(5-11)7(10(12)13)4-9(8)15-2/h3-4,11H,5H2,1-2H3
(3)InChIKey: WBSCOJBVYHQOFB-UHFFFAOYSA-N