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| CAS No.: | 17715-70-7 |
|---|---|
| Name: | 2,4-DIMETHOXY-1-FLUOROBENZENE |
| Article Data: | 16 |
| Molecular Structure: | |
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| Formula: | C8H9FO2 |
| Molecular Weight: | 156.157 |
| Synonyms: | 1,3-Dimethoxy-4-fluorobenzene;2,4-Dimethoxyfluorobenzene;4-Fluoro-1,3-dimethoxybenzene; |
| Density: | 1.102 g/cm3 |
| Boiling Point: | 221.2 °C at 760 mmHg |
| Flash Point: | 94.3 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| PSA: | 18.46000 |
| LogP: | 1.84290 |
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Specification
The Benzene,1-fluoro-2,4-dimethoxy-, with the CAS registry number 17715-70-7, has the systematic name of 1-fluoro-2,4-dimethoxybenzene. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C8H9FO2.
The characteristics of Benzene,1-fluoro-2,4-dimethoxy- are as followings: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.01; (4)ACD/LogD (pH 7.4): 2.01; (5)ACD/BCF (pH 5.5): 19.69; (6)ACD/BCF (pH 7.4): 19.69; (7)ACD/KOC (pH 5.5): 293.81; (8)ACD/KOC (pH 7.4): 293.81; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.471; (14)Molar Refractivity: 39.6 cm3; (15)Molar Volume: 141.6 cm3; (16)Polarizability: 15.7×10-24cm3; (17)Surface Tension: 28.6 dyne/cm; (18)Density: 1.102 g/cm3; (19)Flash Point: 94.3 °C; (20)Enthalpy of Vaporization: 43.9 kJ/mol; (21)Boiling Point: 221.2 °C at 760 mmHg; (22)Vapour Pressure: 0.161 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1ccc(OC)cc1OC
(2)InChI: InChI=1/C8H9FO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,1-2H3
(3)InChIKey: QLJNEPOEZGFNEA-UHFFFAOYAI