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| CAS No.: | 55791-52-1 |
|---|---|
| Name: | 2,4-Dimethoxybenzylchloride |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C9H11ClO2 |
| Molecular Weight: | 186.638 |
| Synonyms: | 1-(Chloromethyl)-2,4-dimethoxybenzene;2,4-Dimethoxybenzyl chloride; |
| Density: | 1.13 g/cm3 |
| Boiling Point: | 268.422 °C at 760 mmHg |
| Flash Point: | 104.401 °C |
| PSA: | 18.46000 |
| LogP: | 2.44260 |
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Specification
The Benzene,1-(chloromethyl)-2,4-dimethoxy-, with the CAS registry number 55791-52-1, has the systematic name of 1-(chloromethyl)-2,4-dimethoxybenzene. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H11ClO2.
The characteristics of Benzene,1-(chloromethyl)-2,4-dimethoxy- are as followings: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.544; (4)ACD/LogD (pH 7.4): 2.544; (5)ACD/BCF (pH 5.5): 50.525; (6)ACD/BCF (pH 7.4): 50.525; (7)ACD/KOC (pH 5.5): 576.745; (8)ACD/KOC (pH 7.4): 576.745; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 49.375 cm3; (15)Molar Volume: 165.133 cm3; (16)Polarizability: 19.574×10-24cm3; (17)Surface Tension: 33.026 dyne/cm; (18)Density: 1.13 g/cm3; (19)Flash Point: 104.401 °C; (20)Enthalpy of Vaporization: 48.609 kJ/mol; (21)Boiling Point: 268.422 °C at 760 mmHg; (22)Vapour Pressure: 0.013 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: COc1ccc(c(c1)OC)CCl
(2)InChI: InChI=1/C9H11ClO2/c1-11-8-4-3-7(6-10)9(5-8)12-2/h3-5H,6H2,1-2H3
(3)InChIKey: BQBRGOQCWAXXLR-UHFFFAOYAS