3-Fluoro-4-nitroanisole supplier

Name
3-Fluoro-4-nitroanisole
EINECS 695-695-6
CAS No. 446-38-8
Article Data32
CAS DataBase
Density 1.321 g/cm³
Solubility
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
Appearance
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;
PSA 55.05000
LogP 2.26570

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

Product Name

3-Fluoro-4-nitroanisole

3-Fluoro-4-nitroanisole Specification

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