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| CAS No.: | 62581-82-2 |
|---|---|
| Name: | 1-[3-(Chloromethyl)-4-methoxyphenyl]ethan-1-one |
| Article Data: | 8 |
| Molecular Structure: | |
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|
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| Formula: | C10H11ClO2 |
| Molecular Weight: | 198.649 |
| Synonyms: | 1-(3-(Chloromethyl)-4-methoxyphenyl)ethanone;2-Methoxy-5-acetylbenzylchloride; |
| Density: | 1.15 g/cm3 |
| Melting Point: | 116 °C |
| Boiling Point: | 330.8 °C at 760 mmHg |
| Flash Point: | 144.1 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 26.30000 |
| LogP: | 2.63660 |
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- Total:32 Page 1 of 1 1
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Specification
The 1-[3-(Chloromethyl)-4-methoxyphenyl]ethan-1-one, with the CAS registry number 62581-82-2, is also known as 2-Methoxy-5-acetylbenzylchloride. It belongs to the product categories of Halometyl; Methyl Halides; Phenyls & Phenyl-Het; Methyl Halides. This chemical's molecular formula is C10H11ClO2 and molecular weight is 198.65. What's more, its IUPAC name is 1-[3-(chloromethyl)-4-methoxyphenyl]ethanone.
Physical properties of 1-[3-(Chloromethyl)-4-methoxyphenyl]ethan-1-one are: (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): 19.79; (6)ACD/BCF (pH 7.4): 19.79; (7)ACD/KOC (pH 5.5): 294.91; (8)ACD/KOC (pH 7.4): 294.91; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Molar Refractivity: 52.72 cm3; (13)Molar Volume: 172.6 cm3; (14)Polarizability: 20.9×10-24cm3; (15)Surface Tension: 36.4 dyne/cm; (16)Density: 1.15 g/cm3; (17)Flash Point: 144.1 °C; (18)Enthalpy of Vaporization: 57.34 kJ/mol; (19)Boiling Point: 330.8 °C at 760 mmHg; (20)Vapour Pressure: 0.000163 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. 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)Canonical SMILES: CC(=O)C1=CC(=C(C=C1)OC)CCl
(2)InChI: InChI=1S/C10H11ClO2/c1-7(12)8-3-4-10(13-2)9(5-8)6-11/h3-5H,6H2,1-2H3
(3)InChIKey: BNLRVFJSVGTTGG-UHFFFAOYSA-N