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CAS No.: | 141428-47-9 |
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Name: | 2-(2,3-Difluoro-6-nitrophenyl)acetic acid |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C8H5F2NO4 |
Molecular Weight: | 217.129 |
Synonyms: | Benzeneacetic acid, 2,3-difluoro-6-nitro-; |
Density: | 1.583 g/cm3 |
Melting Point: | 154.0 to 158.0 °C |
Boiling Point: | 345.138 °C at 760 mmHg |
Flash Point: | 162.534 °C |
PSA: | 83.12000 |
LogP: | 2.02330 |
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The 2-(2,3-Difluoro-6-nitrophenyl)acetic acid, with the CAS registry number 141428-47-9, is also known as Benzeneacetic acid, 2,3-difluoro-6-nitro-. This chemical's molecular formula is C8H5F2NO4 and molecular weight is 217.1264. Its systematic name is called (2,3-difluoro-6-nitrophenyl)acetic acid.
Physical properties of 2-(2,3-Difluoro-6-nitrophenyl)acetic acid: (1)ACD/LogP: 1.93; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 3; (9)Index of Refraction: 1.553; (10)Molar Refractivity: 43.9 cm3; (11)Molar Volume: 137.137 cm3; (12)Surface Tension: 56.149 dyne/cm; (13)Density: 1.583 g/cm3; (14)Flash Point: 162.534 °C; (15)Enthalpy of Vaporization: 62.179 kJ/mol; (16)Boiling Point: 345.138 °C at 760 mmHg; (17)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(CC(O)=O)c(ccc1F)N(=O)=O
(2)InChI: InChI=1/C8H5F2NO4/c9-5-1-2-6(11(14)15)4(8(5)10)3-7(12)13/h1-2H,3H2,(H,12,13)
(3)InChIKey: KZNVCGPCWKYPKD-UHFFFAOYAT