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| CAS No.: | 18217-00-0 |
|---|---|
| Name: | 1-(2-CHLOROETHYL)-4-METHOXYBENZENE |
| Article Data: | 25 |
| Molecular Structure: | |
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| Formula: | C9H11ClO |
| Molecular Weight: | 170.639 |
| Synonyms: | Anisole,p-(2-chloroethyl)- (6CI,8CI);1-(2-Chloroethyl)-4-methoxybenzene;1-Chloro-2-(4-methoxyphenyl)ethane;2-(4-Methoxyphenyl)ethylchloride;4-(2-Chloroethyl)anisole;4-Methoxyphenethyl chloride;p-(2-Chloroethyl)anisole;p-Methoxyphenethyl chloride; |
| EINECS: | 242-099-5 |
| Density: | 1.082 g/cm3 |
| Boiling Point: | 249.1 °C at 760 mmHg |
| Flash Point: | 108.7 °C |
| Appearance: | light yellow syrup |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 68-36/37-22 |
| Safety: | 36/37-26 |
| PSA: | 9.23000 |
| LogP: | 2.47650 |
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Specification
This chemical is called Benzene, 1-(2-chloroethyl)-4-methoxy-, and it can also be named as 4-(2-Chloroethyl)phenyl methyl ether. With the molecular formula of C9H11ClO, its molecular weight is 170.64. The CAS registry number of this chemical is 18217-00-0. Additionally, its product category is Aromatics.
Other characteristics of the Benzene, 1-(2-chloroethyl)-4-methoxy- can be summarised as followings: (1)ACD/LogP: 2.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.79; (5)ACD/BCF (pH 5.5): 77.62; (6)ACD/BCF (pH 7.4): 77.62; (7)ACD/KOC (pH 5.5): 784.28; (8)ACD/KOC (pH 7.4): 784.28; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.512; (14)Molar Refractivity: 47.32 cm3; (15)Molar Volume: 157.6 cm3; (16)Polarizability: 18.76×10-24cm3; (17)Surface Tension: 33.4 dyne/cm; (18)Density: 1.082 g/cm3; (19)Flash Point: 108.7 °C; (20)Enthalpy of Vaporization: 46.67 kJ/mol; (21)Boiling Point: 249.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0368 mmHg at 25°C.
Production method of this chemical: The Benzene, 1-(2-chloroethyl)-4-methoxy- could be obtained by the reactant of 4-methoxy-phenethyl alcohol. This reaction needs the reagent of SOCl2.
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Uses of this chemical: The Benzene, 1-(2-chloroethyl)-4-methoxy- could react with dimethylamine, and obtain the (4-methoxy-phenethyl)-dimethyl-amine. This reaction needs the solvent of methanol. The yield is 41 %. In addition, this reaction should be taken at ambient temperature.
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When you are using this chemical, please be cautious about it as the following: This chemical is irritating / harmful 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: ClCCc1ccc(OC)cc1
2.InChI: InChI=1/C9H11ClO/c1-11-9-4-2-8(3-5-9)6-7-10/h2-5H,6-7H2,1H3
3.InChIKey: PMIAMRAWHYEPNH-UHFFFAOYAP