-
Name
2-FLUORONICOTINIC ACID METHYL ESTER
- EINECS
- CAS No. 446-26-4
- Article Data8
- CAS DataBase
- Density 1.243g/cm3
- Solubility
- Melting Point 22-26 °C
- Formula C7H6 F N O2
- Boiling Point 75 °C/5 mmHg
- Molecular Weight 155.129
- Flash Point 110 ºC
- Transport Information
- Appearance
-
Safety
Hazard Codes Xi Risk Statements 36/37/38 Safety Statements 26 - Risk Codes R36/37/38
-
Molecular Structure
-
Hazard Symbols
- Synonyms Nicotinicacid, 2-fluoro-, methyl ester (7CI,8CI); Nicotinic acid, 2-fluoro-, methylesters (5CI); 2-Fluoronicotinic acid methyl ester;2-Fluoropyridine-3-carboxylic acid methyl ester; Methyl 2-fluoronicotinate; NSC51593
- PSA 39.19000
- LogP 1.00730
Methyl 2-fluoropyridine-3-carboxylate Chemical Properties
Molecule structure of Methyl 2-fluoropyridine-3-carboxylate (CAS NO.446-26-4):
IUPAC Name: Methyl 2-fluoropyridine-3-carboxylate
Molecular Weight: 155.126443 [g/mol]
Molecular Formula: C7H6FNO2
Index of Refraction: 1.49
Molar Refractivity: 36.11 cm3
Molar Volume: 124.7 cm3
Polarizability: 14.31×10-24 cm3
Surface Tension: 39.8 dyne/cm
Density: 1.243 g/cm3
Melting Point: 22-26 °C
Flash Point: 87.9 °C
Enthalpy of Vaporization: 45.82 kJ/mol
Boiling Point: 221.8 °C at 760 mmHg
Vapour Pressure: 0.105 mmHg at 25 °C
XLogP3-AA: 1.1
H-Bond Acceptor: 4
Rotatable Bond Count: 2
Exact Mass: 155.038257
MonoIsotopic Mass: 155.038257
Topological Polar Surface Area: 39.2
Heavy Atom Count: 11
Complexity: 151
Canonical SMILES: COC(=O)C1=C(N=CC=C1)F
InChI: InChI=1S/C7H6FNO2/c1-11-7(10)5-3-2-4-9-6(5)8/h2-4H,1H3
InChIKey: PJNHJXKXBSOLBH-UHFFFAOYSA-N
Product Categories of Methyl 2-fluoropyridine-3-carboxylate (CAS NO.446-26-4): Pyridine; Pyridines; Esters; Boronic Acid
Methyl 2-fluoropyridine-3-carboxylate Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/38:Irritating to eyes and skin.
Safety Statements: 26
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
Methyl 2-fluoropyridine-3-carboxylate Specification
Methyl 2-fluoropyridine-3-carboxylate (CAS NO.446-26-4) is also named as 3-Pyridinecarboxylicacid, 2-fluoro-, methyl ester ; Nicotinicacid, 2-fluoro-, methyl ester (7CI,8CI) ; Nicotinic acid, 2-fluoro-, methylesters (5CI) ; 2-Fluoronicotinic acid methyl ester ; 2-Fluoropyridine-3-carboxylic acid methyl ester ; Methyl 2-fluoronicotinate ; NSC51593 .
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