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[2-(2-iodoethyl)-1,3-dioxolan-4-yl]methanol

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Name

[2-(2-iodoethyl)-1,3-dioxolan-4-yl]methanol

EINECS 203-172-7
CAS No. 104-08-5 Density 1.77 g/cm3
PSA 38.69000 LogP 0.54530
Solubility N/A Melting Point N/A
Formula C6H11IO3 Boiling Point 303.8 °C at 760 mmHg
Molecular Weight 258.05421 Flash Point 137.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 104-08-5 (2-(2-iodoethyl)-1,3-dioxolane-4-methanol) Hazard Symbols N/A
Synonyms

2-(2-Iodoethyl)-1,3-dioxolane-4-methanol;1,3-dioxolane-4-methanol, 2-(2-iodoethyl)-;

 

[2-(2-iodoethyl)-1,3-dioxolan-4-yl]methanol Specification

This chemical is called [2-(2-iodoethyl)-1,3-dioxolan-4-yl]methanol, and it can also be named as 2-(2-Iodoethyl)-1,3-dioxolane-4-methanol. With the molecular formula of C6H11IO3, its molecular weight is 258.05421. The CAS registry number of this chemical is 104-08-5, and its EINECS number is 203-172-7. 

Other characteristics of the [2-(2-iodoethyl)-1,3-dioxolan-4-yl]methanol can be summarised as followings: (1)ACD/LogP: 0.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.67; (4)ACD/LogD (pH 7.4): 0.67; (5)ACD/BCF (pH 5.5): 1.92; (6)ACD/BCF (pH 7.4): 1.92; (7)ACD/KOC (pH 5.5): 55.44; (8)ACD/KOC (pH 7.4): 55.44; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 45.57 cm3; (15)Molar Volume: 145.7 cm3; (16)Polarizability: 18.06×10-24 cm3; (17)Surface Tension: 50.4 dyne/cm; (18)Density: 1.77 g/cm3; (19)Flash Point: 137.5 °C; (20)Enthalpy of Vaporization: 63.1 kJ/mol; (21)Boiling Point: 303.8 °C at 760 mmHg; (22)Vapour Pressure: 8.72E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: ICCC1OC(CO)CO1
2.InChI: InChI=1/C6H11IO3/c7-2-1-6-9-4-5(3-8)10-6/h5-6,8H,1-4H2
3.InChIKey: YPSNTKGTKXXRGU-UHFFFAOYAA

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