Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Methyl 2-fluoro-5-nitrobenzenecarboxylate |
EINECS | N/A |
CAS No. | 2965-22-2 | Density | 1.388 g/cm3 |
PSA | 72.12000 | LogP | 2.04370 |
Solubility | N/A | Melting Point |
49-51℃ |
Formula | C8H6FNO4 | Boiling Point | 302.8 °C at 760 mmHg |
Molecular Weight | 199.138 | Flash Point | 136.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Fluoro-5-nitrobenzoicacid methyl ester;Methyl 2-fluoro-5-nitrobenzoate; |
Article Data | 16 |
The Methyl 2-fluoro-5-nitrobenzenecarboxylate, with the CAS registry number 2965-22-2, is also known as 2-Fluoro-5-nitrobenzoic acid methyl ester. This chemical's molecular formula is C8H6FNO4 and molecular weight is 199.1359. Its systematic name is called methyl 2-fluoro-5-nitrobenzoate.
Physical properties of Methyl 2-fluoro-5-nitrobenzenecarboxylate: (1)ACD/LogP: 1.37; (2)ACD/LogD (pH 5.5): 1.37; (3)ACD/LogD (pH 7.4): 1.37; (4)ACD/BCF (pH 5.5): 6.48; (5)ACD/BCF (pH 7.4): 6.48; (6)ACD/KOC (pH 5.5): 132.57; (7)ACD/KOC (pH 7.4): 132.57; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.533; (11)Molar Refractivity: 44.56 cm3; (12)Molar Volume: 143.3 cm3; (13)Surface Tension: 46.6 dyne/cm; (14)Density: 1.388 g/cm3; (15)Flash Point: 136.9 °C; (16)Enthalpy of Vaporization: 54.31 kJ/mol; (17)Boiling Point: 302.8 °C at 760 mmHg; (18)Vapour Pressure: 0.000967 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cc(ccc1F)[N+]([O-])=O
(2)InChI: InChI=1/C8H6FNO4/c1-14-8(11)6-4-5(10(12)13)2-3-7(6)9/h2-4H,1H3
(3)InChIKey: JZLONOOYIXEAHM-UHFFFAOYAN