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CAS No.: | 126163-56-2 |
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Name: | 1-HYDROXY-4-ETHOXY-2,3-DIFLUOROBENZENE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C8H8F2O2 |
Molecular Weight: | 174.147 |
Synonyms: | Phenol, 4-ethoxy-2,3-difluoro-; |
Density: | 1.273 g/cm3 |
Melting Point: | 73℃ |
Boiling Point: | 234.8 °C at 760 mmHg |
Flash Point: | 115.7 °C |
Risk Codes: | 22-36/37/38 |
Safety: | 26-36/37 |
PSA: | 29.46000 |
LogP: | 2.06910 |
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The 1-HYDROXY-4-ETHOXY-2,3-DIFLUOROBENZENE, also known as Phenol, 4-ethoxy-2,3-difluoro-, is the organic compound with the formula C8H8F2O2. With the CAS registry number 126163-56-2, its systematic name is 1-HYDROXY-4-ETHOXY-2,3-DIFLUOROBENZENE.
Physical properties of 1-HYDROXY-4-ETHOXY-2,3-DIFLUOROBENZENE: (1)ACD/LogP: 2.43; (2)ACD/LogD (pH 5.5): 2.43; (3)ACD/LogD (pH 7.4): 2.37; (4)ACD/BCF (pH 5.5): 41.07; (5)ACD/BCF (pH 7.4): 36.13; (6)ACD/KOC (pH 5.5): 497.05; (7)ACD/KOC (pH 7.4): 437.21; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.488; (12)Molar Refractivity: 39.43 cm3; (13)Molar Volume: 136.7 cm3; (14)Surface Tension: 35.1 dyne/cm; (15)Density: 1.273 g/cm3; (16)Flash Point: 115.7 °C; (17)Enthalpy of Vaporization: 49.07 kJ/mol; (18)Boiling Point: 234.8 °C at 760 mmHg; (19)Vapour Pressure: 0.0338 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOc1ccc(O)c(F)c1F
(2)InChI: InChI=1/C8H8F2O2/c1-2-12-6-4-3-5(11)7(9)8(6)10/h3-4,11H,2H2,1H3
(3)InChIKey: PKIYFPSPIFCDDB-UHFFFAOYAJ