2-(4-Iodobutyl)-5,5-dimethyl-1,3-dioxane supplier

Name
2-(4-Iodobutyl)-5,5-dimethyl-1,3-dioxane
EINECS
CAS No. 402480-06-2
Density 1.378 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₉IO₂
Boiling Point 295.1 °C at 760 mmHg
Molecular Weight 298.16
Flash Point 132.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(4-Iodobutyl)-5,5-dimethyl-1,3-dioxane
PSA 18.46000
LogP 2.99080

2-(4-Iodobutyl)-5,5-dimethyl-1,3-dioxane Specification

This chemical is called 2-(4-Iodobutyl)-5,5-dimethyl-1,3-dioxane, and its systematic name is 1,3-dioxane, 2-(4-iodobutyl)-5,5-dimethyl-. With the molecular formula of C₁₀H₁₉IO₂, its molecular weight is 298.16. The CAS registry number of this chemical is 402480-06-2.

Other characteristics of the 2-(4-Iodobutyl)-5,5-dimethyl-1,3-dioxane can be summarised as followings: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.89; (4)ACD/LogD (pH 7.4): 2.89; (5)ACD/BCF (pH 5.5): 91.85; (6)ACD/BCF (pH 7.4): 91.85; (7)ACD/KOC (pH 5.5): 884.65; (8)ACD/KOC (pH 7.4): 884.65; (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: 1.489; (14)Molar Refractivity: 62.54 cm³; (15)Molar Volume: 216.3 cm³; (16)Polarizability: 24.79×10^-24cm³; (17)Surface Tension: 36 dyne/cm; (18)Density: 1.378 g/cm³; (19)Flash Point: 132.3 °C; (20)Enthalpy of Vaporization: 51.34 kJ/mol; (21)Boiling Point: 295.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00273 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CC1(COC(OC1)CCCCI)C
2.InChI: InChI=1/C10H19IO2/c1-10(2)7-12-9(13-8-10)5-3-4-6-11/h9H,3-8H2,1-2H3
3.InChIKey: BPFUSAQYSJHDHS-UHFFFAOYAS

Product Name

2-(4-Iodobutyl)-5,5-dimethyl-1,3-dioxane

2-(4-Iodobutyl)-5,5-dimethyl-1,3-dioxane Specification

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