Benzene,1-(chloromethyl)-2,4-dimethoxy- supplier

Name
2,4-Dimethoxybenzylchloride
EINECS
CAS No. 55791-52-1
Article Data10
CAS DataBase
Density 1.13 g/cm³
Solubility
Melting Point
Formula C₉H₁₁ClO₂
Boiling Point 268.422 °C at 760 mmHg
Molecular Weight 186.638
Flash Point 104.401 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(Chloromethyl)-2,4-dimethoxybenzene;2,4-Dimethoxybenzyl chloride;
PSA 18.46000
LogP 2.44260

Benzene,1-(chloromethyl)-2,4-dimethoxy- 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

Product Name

2,4-Dimethoxybenzylchloride

Benzene,1-(chloromethyl)-2,4-dimethoxy- Specification

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