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| CAS No.: | 89-96-3 |
|---|---|
| Name: | 1-CHLORO-2-ETHYLBENZENE |
| Molecular Structure: | |
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| Formula: | C8H9Cl |
| Molecular Weight: | 140.612 |
| Synonyms: | 1-Chloro-2-ethylbenzene;2-Chloro-1-ethylbenzene;NSC 72739;o-Chloroethylbenzene;o-Ethylchlorobenzene; |
| Density: | 1.047 g/cm3 |
| Melting Point: | -82.7°C |
| Boiling Point: | 178.4 °C at 760 mmHg |
| Flash Point: | 60 °C |
| PSA: | 0.00000 |
| LogP: | 2.90240 |
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Specification
The Benzene,1-chloro-2-ethyl-, with the CAS registry number 89-96-3, is also known as AI3-15621. This chemical's molecular formula is C8H9Cl and molecular weight is 140.61. Its systematic name is called 1-chloro-2-ethyl-benzene.
Physical properties of Benzene,1-chloro-2-ethyl-: (1)ACD/LogP: 3.81; (2)ACD/LogD (pH 5.5): 3.8; (3)ACD/LogD (pH 7.4): 3.8; (4)#Freely Rotating Bonds: 1; (5)Index of Refraction: 1.518; (6)Molar Refractivity: 40.69 cm3; (7)Molar Volume: 134.2 cm3; (8)Surface Tension: 32.2 dyne/cm; (9)Density: 1.047 g/cm3; (10)Flash Point: 60 °C; (11)Enthalpy of Vaporization: 39.77 kJ/mol; (12)Boiling Point: 178.4 °C at 760 mmHg; (13)Vapour Pressure: 1.34 mmHg at 25°C.
Preparation: this chemical can be prepared by ethylbenzene. This reaction will need reagent N-chlorosuccinimide, FeCl3 and solvent acetonitrile. The reaction time is 3 hours. The yield is about 52%.
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You can still convert the following datas into molecular structure:
(1)SMILES: CCc1ccccc1Cl
(2)InChI: InChI=1/C8H9Cl/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3
(3)InChIKey: CVGAWKYSRYXQOI-UHFFFAOYAS