-
Name
Methyl 2-Fluoroisonicotinate
- EINECS 200-589-5
- CAS No. 455-69-6
- Article Data4
- CAS DataBase
- Density 1.243 g/cm3
- Solubility
- Melting Point
- Formula C7H6FNO2
- Boiling Point 227.7 °C at 760 mmHg
- Molecular Weight 155.129
- Flash Point 91.5 °C
- Transport Information
- Appearance
- Safety 26
- Risk Codes 41
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms Isonicotinic acid, 2-fluoro-, methyl ester (8CI);NSC402994;
- PSA 39.19000
- LogP 1.00730
Methyl 2-fluoropyridine-4-carboxylate Specification
This chemical is called Methyl 2-fluoropyridine-4-carboxylate, and its CAS registry number is 455-69-6. With the molecular formula of C7H6FNO2, its molecular weight is 155.13. Additionally, its product category is Picolinic Acid Series.
Other characteristics of the Methyl 2-fluoropyridine-4-carboxylate can be summarised as followings: (1)ACD/LogP: 1.20; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 39.19 Å2; (7)Index of Refraction: 1.49; (8)Molar Refractivity: 36.11 cm3; (9)Molar Volume: 124.7 cm3; (10)Polarizability: 14.31×10-24cm3; (11)Surface Tension: 39.8 dyne/cm; (12)Density: 1.243 g/cm3; (13)Flash Point: 91.5 °C; (14)Enthalpy of Vaporization: 46.43 kJ/mol; (15)Boiling Point: 227.7 °C at 760 mmHg; (16)Vapour Pressure: 0.0764 mmHg at 25°C.
Production method of this chemical: The Methyl 2-fluoropyridine-4-carboxylate could be obtained by the reactant of isonicotinic acid methyl ester. This reaction needs the reagent of F2(N2), and the solvent of 1,1,2-trichloro-1,2,2-trifluoro-ethane. The yield is 61 %.
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When you are using this chemical, please be cautious about it as the following: This chemical has risk of serious damage to the eyes. Keep it away from sources of ignition.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)c1ccnc(F)c1
2.InChI: InChI=1/C7H6FNO2/c1-11-7(10)5-2-3-9-6(8)4-5/h2-4H,1H3
3.InChIKey: MTZKFHSYUSUUIU-UHFFFAOYAF
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