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CAS No.: | 116530-07-5 |
---|---|
Name: | 1-Methyl-7-nitronaphthalene |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C11H9NO2 |
Molecular Weight: | 187.198 |
Synonyms: | 1-Methyl-7-nitronaphthalene; |
Density: | 1.234 g/cm3 |
Boiling Point: | 335.1 °C at 760 mmHg |
Flash Point: | 163.2 °C |
PSA: | 45.82000 |
LogP: | 3.57960 |
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The Naphthalene,1-methyl-7-nitro-, with the CAS registry number 116530-07-5, is also known as CCRIS 7764. This chemical's molecular formula is C11H9NO2 and molecular weight is 187.19466. What's more, both its IUPAC name and systematic name are the same which is called 1-Methyl-7-nitronaphthalene.
Physical properties about Naphthalene,1-methyl-7-nitro- are: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.64; (4)ACD/LogD (pH 7.4): 3.64; (5)ACD/BCF (pH 5.5): 343.33; (6)ACD/BCF (pH 7.4): 343.33; (7)ACD/KOC (pH 5.5): 2273.35; (8)ACD/KOC (pH 7.4): 2273.35; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.82 Å2; (13)Index of Refraction: 1.652; (14)Molar Refractivity: 55.46 cm3; (15)Molar Volume: 151.6 cm3; (16)Surface Tension: 50.4 dyne/cm; (17)Density: 1.234 g/cm3; (18)Flash Point: 163.2 °C; (19)Enthalpy of Vaporization: 55.53 kJ/mol; (20)Boiling Point: 335.1 °C at 760 mmHg; (21)Vapour Pressure: 0.000237 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1cc2c(cc1)cccc2C
(2) InChI: InChI=1/C11H9NO2/c1-8-3-2-4-9-5-6-10(12(13)14)7-11(8)9/h2-7H,1H3
(3) InChIKey: YAXWLSIDOXNUDW-UHFFFAOYAB