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CAS No.: | 71608-10-1 |
---|---|
Name: | 3,6-Dimethyl-2-nitrophenol |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C8H9NO3 |
Molecular Weight: | 167.164 |
Synonyms: | 2,5-Dimethyl-6-nitrophenol; |
Density: | 1.263 g/cm3 |
Melting Point: | 34.5°C |
Boiling Point: | 249 °C at 760 mmHg |
Flash Point: | 107.3 °C |
PSA: | 66.05000 |
LogP: | 2.44040 |
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The Phenol,3,6-dimethyl-2-nitro-, with the CAS registry number of 71608-10-1, is also known as 2,5-Dimethyl-6-nitrophenol. This chemical's molecular formula is C8H9NO3 and molecular weight is 167.163. What's more, its IUPAC name is 3,6-Dimethyl-2-nitrophenol.
Physical properties about the Phenol,3,6-dimethyl-2-nitro- are: (1)ACD/LogP: 2.63; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 55.05 Å2; (7)Index of Refraction: 1.585; (8)Molar Refractivity: 44.32 cm3; (9)Molar Volume: 132.2 cm3; (10)Surface Tension: 50.7 dyne/cm; (11)Density: 1.263 g/cm3; (12)Flash Point: 107.3 °C; (13)Enthalpy of Vaporization: 50.59 kJ/mol; (14)Boiling Point: 249 °C at 760 mmHg; (15)Vapour Pressure: 0.0148 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1c(ccc(c1O)C)C
(2) InChI: InChI=1/C8H9NO3/c1-5-3-4-6(2)8(10)7(5)9(11)12/h3-4,10H,1-2H3
(3) InChIKey: VIQHHRZADKSPIM-UHFFFAOYAQ