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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 | Hazard Symbols | Xi | |
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 |
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