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CAS No.: | 4836-69-5 |
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Name: | 2,4-Dinitro phenyl ethyl alcohol |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C8H8N2O5 |
Molecular Weight: | 212.162 |
Synonyms: | Phenethylalcohol, 2,4-dinitro- (7CI,8CI);2,4-Dinitrobenzeneethanol;2-(2,4-Dinitrophenyl)ethanol; |
Density: | 1.479 g/cm3 |
Boiling Point: | 376.489 °C at 760 mmHg |
Flash Point: | 167.073 °C |
PSA: | 111.87000 |
LogP: | 2.08420 |
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This chemical is called 2,4-Dinitrophenylethyl alcohol, and its systematic name is 2-(2,4-Dinitrophenyl)ethanol. With the molecular formula of C8H8N2O5, its molecular weight is 212.16. The CAS registry number of this chemical is 4836-69-5.
Other characteristics of the 2,4-Dinitrophenylethyl alcohol can be summarised as followings: (1)ACD/LogP: 1.28; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 111.87 Å2; (7)Index of Refraction: 1.621; (8)Molar Refractivity: 50.428 cm3; (9)Molar Volume: 143.44 cm3; (10)Polarizability: 19.991×10-24cm3; (11)Surface Tension: 67.777 dyne/cm; (12)Density: 1.479 g/cm3; (13)Flash Point: 167.073 °C; (14)Enthalpy of Vaporization: 65.841 kJ/mol; (15)Boiling Point: 376.489 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c1ccc(c(c1)[N+]([O-])=O)CCO
2.InChI: InChI=1/C8H8N2O5/c11-4-3-6-1-2-7(9(12)13)5-8(6)10(14)15/h1-2,5,11H,3-4H2
3.InChIKey: AONMTYOVKUOHQP-UHFFFAOYAK