-
Name
4-Fluoro-3-nitroanisole
- EINECS 200-258-5
- CAS No. 61324-93-4
- Article Data5
- CAS DataBase
- Density 1.321 g/cm3
- Solubility
- Melting Point
- Formula C7H6FNO3
- Boiling Point 279.5 °C at 760 mmHg
- Molecular Weight 171.128
- Flash Point 122.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 4-Fluoro-3-nitrophenyl methyl ether;
- PSA 55.05000
- LogP 2.26570
4-Fluoro-3-nitroanisole Specification
The 4-Fluoro-3-nitroanisole, with the CAS registry number 61324-93-4, is also known as 4-Fluoro-3-nitrophenyl methyl ether. This chemical's molecular formula is C7H6FNO3 and molecular weight is 171.1258432. What's more, its systematic name is 1-Fluoro-4-methoxy-2-nitrobenzene.
Physical properties about 4-Fluoro-3-nitroanisole are: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.98; (4)ACD/LogD (pH 7.4): 1.98; (5)ACD/BCF (pH 5.5): 18.96; (6)ACD/BCF (pH 7.4): 18.96; (7)ACD/KOC (pH 5.5): 285.96; (8)ACD/KOC (pH 7.4): 285.96; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.05 Å2; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 39.47 cm3; (15)Molar Volume: 129.4 cm3; (16)Polarizability: 15.64×10-24 cm3; (17)Surface Tension: 40.4 dyne/cm; (18)Density: 1.321 g/cm3; (19)Flash Point: 122.8 °C; (20)Enthalpy of Vaporization: 49.73 kJ/mol; (21)Boiling Point: 279.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00679 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1c(F)ccc(OC)c1
(2) InChI: InChI=1/C7H6FNO3/c1-12-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3
(3) InChIKey: ZRIKJXDEJYMBEJ-UHFFFAOYAR
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