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| CAS No.: | 181305-71-5 |
|---|---|
| Name: | 2-CHLORO-4-FLUOROPHENETOLE |
| Molecular Structure: | |
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| Formula: | C8H8ClFO |
| Molecular Weight: | 174.60 |
| Synonyms: | 2-CHLORO-4-FLUOROPHENETOLE;2-chloro-1-ethoxy-4-fluorobenzene |
| Density: | 1.195 g/cm3 |
| Boiling Point: | 211.4 °C at 760 mmHg |
| Flash Point: | 81.7 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 9.23000 |
| LogP: | 2.87780 |
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Specification
This chemical is called Benzene, 2-chloro-1-ethoxy-4-fluoro-, and its systematic name is 2-chloro-1-ethoxy-4-fluorobenzene. With the molecular formula of C8H8ClFO, its molecular weight is 174.60. The CAS registry number of this chemical is 181305-71-5. Additionally, its product categories are Phenetole; Anisoles, Alkyloxy Compounds & Phenylacetates; Chlorine Compounds; Fluorine Compounds.
Other characteristics of the Benzene, 2-chloro-1-ethoxy-4-fluoro- can be summarised as followings: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.9; (4)ACD/LogD (pH 7.4): 2.9; (5)ACD/BCF (pH 5.5): 93.4; (6)ACD/BCF (pH 7.4): 93.4; (7)ACD/KOC (pH 5.5): 895.35; (8)ACD/KOC (pH 7.4): 895.35; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.492; (14)Molar Refractivity: 42.45 cm3; (15)Molar Volume: 146.1 cm3; (16)Polarizability: 16.82×10-24cm3; (17)Surface Tension: 31.7 dyne/cm; (18)Density: 1.195 g/cm3; (19)Flash Point: 81.7 °C; (20)Enthalpy of Vaporization: 42.94 kJ/mol; (21)Boiling Point: 211.4 °C at 760 mmHg; (22)Vapour Pressure: 0.265 mmHg at 25°C.
Production method of this chemical: The Benzene, 2-chloro-1-ethoxy-4-fluoro- could be obtained by the reactants of iodoethane and 2-chloro-4-fluoro-phenol. This reaction needs the reagent of K2CO3.
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When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1cc(F)ccc1OCC
2.InChI: InChI=1/C8H8ClFO/c1-2-11-8-4-3-6(10)5-7(8)9/h3-5H,2H2,1H3
3.InChIKey: WYLDKPUNTQEDLF-UHFFFAOYAF