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| CAS No.: | 15068-08-3 |
|---|---|
| Name: | 2-(CHLOROMETHYL)PHENYL ACETATE |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C9H9ClO2 |
| Molecular Weight: | 184.62 |
| Synonyms: | o-Acetoxybenzyl chloride;2-(Chloromethyl)phenyl acetate;Phenol,2-(chloromethyl)-, acetate (9CI);o-Cresol, a-chloro-, acetate (8CI); |
| Density: | 1.192 g/cm3 |
| Melting Point: | 32-37 °C(lit.) |
| Boiling Point: | 275.5 °C at 760 mmHg |
| Flash Point: | 134.4 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 22-38-41-43 |
| Safety: | 26-36/37/39 |
| PSA: | 26.30000 |
| LogP: | 2.35070 |
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Specification
The Phenol,2-(chloromethyl)-, 1-acetate, with the CAS registry number 15068-08-3, is also known as o-Acetoxybenzyl chloride. This chemical's molecular formula is C9H9ClO2 and molecular weight is 184.62. What's more, its systematic name is 2-(Chloromethyl)phenyl acetate and it belongs to the product categories of C8 to C9; Carbonyl Compounds; Esters. The product should be sealed and stored in containers which are placed in cool, ventilated and dry places.
Physical properties of Phenol,2-(chloromethyl)-, 1-acetate are: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.82; (4)ACD/LogD (pH 7.4): 1.82; (5)ACD/BCF (pH 5.5): 14.33; (6)ACD/BCF (pH 7.4): 14.33; (7)ACD/KOC (pH 5.5): 233.98; (8)ACD/KOC (pH 7.4): 233.98; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 47.35 cm3; (15)Molar Volume: 154.7 cm3; (16)Polarizability: 18.77×10-24 cm3; (17)Surface Tension: 37.9 dyne/cm; (18)Density: 1.192 g/cm3; (19)Flash Point: 134.4 °C; (20)Enthalpy of Vaporization: 51.39 kJ/mol; (21)Boiling Point: 275.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00508 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and it is irritating to skin. Besides, it has the risk of serious damage to eyes and may cause sensitisation by skin contact. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1ccccc1CCl)C
(2)InChI: InChI=1/C9H9ClO2/c1-7(11)12-9-5-3-2-4-8(9)6-10/h2-5H,6H2,1H3
(3)InChIKey: ZVARSKBWVMXPQO-UHFFFAOYSA-N