4-tert-Butyl-2,6-dinitroanisole supplier

Name
4-tert-Butyl-2,6-dinitroanisole
EINECS
CAS No. 77055-30-2
Article Data9
CAS DataBase
Density 1.247 g/cm³
Solubility
Melting Point 97-101 °C(lit.)
Formula C₁₁H₁₄N₂O₅
Boiling Point 347.5 °C at 760 mmHg
Molecular Weight 254.243
Flash Point 143.2 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 100.87000
LogP 3.85550

4-tert-Butyl-2,6-dinitroanisole 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

Product Name

4-tert-Butyl-2,6-dinitroanisole

4-tert-Butyl-2,6-dinitroanisole Specification

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