1,3-Dioxane, 5-(bromomethyl)-2,2-dimethyl- supplier

Name
1,3-Dioxane, 5-(bromomethyl)-2,2-dimethyl-
EINECS
CAS No. 111934-94-2
Density 1.297 g/cm³
Solubility
Melting Point
Formula C₇H₁₃BrO₂
Boiling Point 217.3 °C at 760 mmHg
Molecular Weight 209.083
Flash Point 87.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3-Dioxane, 2-(bromomethyl)-5,5-dimethyl-;
PSA
LogP

1,3-Dioxane, 5-(bromomethyl)-2,2-dimethyl- Specification

The 1,3-Dioxane, 5-(bromomethyl)-2,2-dimethyl-, with the CAS registry number 111934-94-2, is also known as 1,3-Dioxane, 2-(bromomethyl)-5,5-dimethyl-. This chemical's molecular formula is C₇H₁₃BrO₂ and molecular weight is 209.0809. What's more, its systematic name is 2-(Bromomethyl)-5,5-dimethyl-1,3-dioxane.

Physical properties about 1,3-Dioxane, 5-(bromomethyl)-2,2-dimethyl- are: (1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.6; (4)ACD/LogD (pH 7.4): 1.6; (5)ACD/BCF (pH 5.5): 9.65; (6)ACD/BCF (pH 7.4): 9.65; (7)ACD/KOC (pH 5.5): 176.37; (8)ACD/KOC (pH 7.4): 176.37; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.451; (14)Molar Refractivity: 43.4 cm³; (15)Molar Volume: 161.2 cm³; (16)Polarizability: 17.2×10^-24 cm³; (17)Surface Tension: 33.8 dyne/cm; (18)Density: 1.297 g/cm³; (19)Flash Point: 87.4 °C; (20)Enthalpy of Vaporization: 43.52 kJ/mol; (21)Boiling Point: 217.3 °C at 760 mmHg; (22)Vapour Pressure: 0.197 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC1(C)COC(CBr)OC1
(2) InChI: InChI=1/C7H13BrO2/c1-7(2)4-9-6(3-8)10-5-7/h6H,3-5H2,1-2H3
(3) InChIKey: OMOOHAUFAJZFJR-UHFFFAOYAS

Product Name

1,3-Dioxane, 5-(bromomethyl)-2,2-dimethyl-

1,3-Dioxane, 5-(bromomethyl)-2,2-dimethyl- Specification

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