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3-Fluoro-4-nitroanisole

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Name

3-Fluoro-4-nitroanisole

EINECS 695-695-6
CAS No. 446-38-8 Density 1.321 g/cm3
PSA 55.05000 LogP 2.26570
Solubility N/A Melting Point 57.3 °C
Formula C7H6FNO3 Boiling Point 264.5 °C at 760 mmHg
Molecular Weight 171.128 Flash Point 113.7 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39-45 Risk Codes 34
Molecular Structure Molecular Structure of 446-38-8 (3-Fluoro-4-nitroanisole) Hazard Symbols IrritantXi
Synonyms

Anisole,3-fluoro-4-nitro- (8CI);2-Fluoro-4-methoxy-1-nitrobenzene;2-Fluoro-4-methoxynitrobenzene;3-Fluoro-1-methoxy-4-nitrobenzene;3-Fluoro-4-nitrophenyl methyl ether;4-Methoxy-2-fluoro-1-nitrobenzene;AC1LBWS6;AC1Q4N6W;Nitrobenzene,-2-fluoro,-4-methoxy;CID565654;

Article Data 32

3-Fluoro-4-nitroanisole Specification

The 3-Fluoro-4-nitroanisole with CAS registry number of 446-38-8 is also known as Benzene,2-fluoro-4-methoxy-1-nitro-. The IUPAC name is 2-Fluoro-4-methoxy-1-nitrobenzene. It belongs to product categories of Blocks; FluoroCompounds; NitroCompounds; Aromatic Halides (substituted). In addition, the formula is C7H6FNO3 and the molecular weight is 171.13. Besides, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 3-Fluoro-4-nitroanisole are: (1)ACD/LogP: 1.82; (2)ACD/LogD (pH 5.5): 1.82; (3)ACD/LogD (pH 7.4): 1.82; (4)ACD/BCF (pH 5.5): 14.27; (5)ACD/BCF (pH 7.4): 14.27; (6)ACD/KOC (pH 5.5): 233.34; (7)ACD/KOC (pH 7.4): 233.34; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.521; (11)Molar Refractivity: 39.47 cm3; (12)Molar Volume: 129.4 cm3; (13)Surface Tension: 40.4 dyne/cm; (14)Density: 1.321 g/cm3; (15)Flash Point: 113.7 °C; (16)Enthalpy of Vaporization: 48.21 kJ/mol; (17)Boiling Point: 264.5 °C at 760 mmHg; (18)Vapour Pressure: 0.0159 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: COC1=CC(=C(C=C1)[N+](=O)[O-])F
2. InChI: InChI=1S/C7H6FNO3/c1-12-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3
3. InChIKey: PLEJCMKVJYUUBA-UHFFFAOYSA-N

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