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| CAS No.: | 341-92-4 |
|---|---|
| Name: | 1-Fluoro-4-nitronaphthalene |
| Molecular Structure: | |
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| Formula: | C10H6FNO2 |
| Molecular Weight: | 191.162 |
| Synonyms: | 1-Fluoro-4-nitronaphthalene;4-Nitro-1-fluoronaphthalene;NSC 94705; |
| EINECS: | 682-039-9 |
| Density: | 1.369 g/cm3 |
| Melting Point: | 80 °C |
| Boiling Point: | 314.6 °C at 760 mmHg |
| Flash Point: | 144.1 °C |
| PSA: | 45.82000 |
| LogP: | 3.41030 |
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Specification
The IUPAC name of 1-Fluoro-4-nitronaphthalene is 1-fluoro-4-nitronaphthalene. With the CAS registry number 341-92-4, it is also named as Naphthalene,1-fluoro-4-nitro-. In addition, its molecular formula is C10H6FNO2 and molecular weight is 191.16.
The other characteristics of 1-Fluoro-4-nitronaphthalene can be summarized as: (1)ACD/LogP: 3.03; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 45.82 Å2; (7)Index of Refraction: 1.645; (8)Molar Refractivity: 50.63 cm3; (9)Molar Volume: 139.6 cm3; (10)Polarizability: 20.07×10-24cm3; (11)Surface Tension: 51.3 dyne/cm; (12)Density: 1.369 g/cm3; (13)Flash Point: 144.1 °C; (14)Enthalpy of Vaporization: 53.36 kJ/mol; (15)Boiling Point: 314.6 °C at 760 mmHg; (16)Vapour Pressure: 0.000852 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: [O-][N+](=O)c2c1ccccc1c(F)cc2
(2)InChI: InChI=1/C10H6FNO2/c11-9-5-6-10(12(13)14)8-4-2-1-3-7(8)9/h1-6H
(3)InChIKey: XVDSBUCGMJBTNO-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C10H6FNO2/c11-9-5-6-10(12(13)14)8-4-2-1-3-7(8)9/h1-6H
(5)Std. InChIKey: XVDSBUCGMJBTNO-UHFFFAOYSA-N