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| CAS No.: | 77055-30-2 |
|---|---|
| Name: | 4-tert-Butyl-2,6-dinitroanisole |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C11H14N2O5 |
| Molecular Weight: | 254.243 |
| Synonyms: | Anisole,4-tert-butyl-2,6-dinitro- (5CI);2,6-Dinitro-4-tert-butylanisole;4-tert-Butyl-2,6-dinitroanisole;5-tert-Butyl-2-methoxy-1,3-dinitrobenzene; |
| Density: | 1.247 g/cm3 |
| Melting Point: | 97-101 °C(lit.) |
| Boiling Point: | 347.5 °C at 760 mmHg |
| Flash Point: | 143.2 °C |
| Safety: | 22-24/25 |
| PSA: | 100.87000 |
| LogP: | 3.85550 |
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Specification
The cas register number of 4-tert-Butyl-2,6-dinitroanisole is 77055-30-2. It also can be called as Benzene,5-(1,1-dimethylethyl)-2-methoxy-1,3-dinitro- and the Systematic name about this chemical is 4-tert-butyl-2,6-dinitrophenyl methyl ether. It belongs to the following product categories, such as Miscellaneous, Nitro Compounds, Nitrogen Compounds, Organic Building Blocks and so on. When you are using it, please not breathe dust and aoid contact with skin and eyes.
Physical properties about 4-tert-Butyl-2,6-dinitroanisole are: (1)ACD/LogP: 2.95; (2)ACD/LogD (pH 5.5): 2.95; (3)ACD/LogD (pH 7.4): 2.95; (4)ACD/BCF (pH 5.5): 103.28; (5)ACD/BCF (pH 7.4): 103.28; (6)ACD/KOC (pH 5.5): 962.15; (7)ACD/KOC (pH 7.4): 962.15; (8)#H bond acceptors: 7; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 100.87Å2; (11)Index of Refraction: 1.544; (12)Molar Refractivity: 64.4 cm3; (13)Molar Volume: 203.8 cm3; (14)Polarizability: 25.53x0-24cm3; (15)Surface Tension: 43.3 dyne/cm; (16)Enthalpy of Vaporization: 56.84 kJ/mol; (17)Vapour Pressure: 0.000108 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1OC)C(C)(C)C
(2)InChI: InChI=1/C11H14N2O5/c1-11(2,3)7-5-8(12(14)15)10(18-4)9(6-7)13(16)17/h5-6H,1-4H3
(3)InChIKey: OPKICKIJGJZVTG-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C11H14N2O5/c1-11(2,3)7-5-8(12(14)15)10(18-4)9(6-7)13(16)17/h5-6H,1-4H3
(5)Std. InChIKey: OPKICKIJGJZVTG-UHFFFAOYSA-N