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1-Fluoro-4-nitronaphthalene

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Name

1-Fluoro-4-nitronaphthalene

EINECS 682-039-9
CAS No. 341-92-4 Density 1.369 g/cm3
PSA 45.82000 LogP 3.41030
Solubility N/A Melting Point 80 °C
Formula C10H6FNO2 Boiling Point 314.6 °C at 760 mmHg
Molecular Weight 191.162 Flash Point 144.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 341-92-4 (1-Fluoro-4-nitronaphthalene) Hazard Symbols N/A
Synonyms

1-Fluoro-4-nitronaphthalene;4-Nitro-1-fluoronaphthalene;NSC 94705;

Article Data 9

1-Fluoro-4-nitronaphthalene 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

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