2-(Bromomethyl)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolane supplier

Name
2-(Bromomethyl)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolane
EINECS 262-103-9
CAS No. 60207-89-8
Article Data2
CAS DataBase
Density 1.441 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₅BrCl₂O₂
Boiling Point 397.4 °C at 760 mmHg
Molecular Weight 354.071
Flash Point 194.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Bromomethyl-2-(2,4-dichlorophenyl)-4-propyldioxolane;1,3-dioxolane, 2-(bromomethyl)-2-(2,4-dichlorophenyl)-4-propyl-;
PSA 18.46000
LogP 4.75660

2-(Bromomethyl)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolane Specification

The 2-(Bromomethyl)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolane, with the CAS registry number 60207-89-8 and EINECS registry number 262-103-9, is also called 1,3-dioxolane, 2-(bromomethyl)-2-(2,4-dichlorophenyl)-4-propyl-. The molecular formula of the chemical is C₁₃H₁₅BrCl₂O₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 5.55; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.55; (4)ACD/LogD (pH 7.4): 5.55; (5)ACD/BCF (pH 5.5): 9665.24; (6)ACD/BCF (pH 7.4): 9665.24; (7)ACD/KOC (pH 5.5): 24785.9; (8)ACD/KOC (pH 7.4): 24785.9; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 77.57 cm³; (15)Molar Volume: 245.6 cm³; (16)Polarizability: 30.75×10^-24cm³; (17)Surface Tension: 45.8 dyne/cm; (18)Density: 1.441 g/cm³; (19)Flash Point: 194.1 °C; (20)Enthalpy of Vaporization: 62.25 kJ/mol; (21)Boiling Point: 397.4 °C at 760 mmHg; (22)Vapour Pressure: 3.66E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: BrCC1(OCC(O1)CCC)c2c(Cl)cc(Cl)cc2
(2)InChI: InChI=1/C13H15BrCl2O2/c1-2-3-10-7-17-13(8-14,18-10)11-5-4-9(15)6-12(11)16/h4-6,10H,2-3,7-8H2,1H3
(3)InChIKey: PJVTZAKVRVBCMJ-UHFFFAOYAF

Product Name

2-(Bromomethyl)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolane

2-(Bromomethyl)-2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolane Specification

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