Molecular Structure of 2-(2-Bromoethoxy)tetrahydro-2H-pyran (CAS NO.59146-56-4):
IUPAC Name: 2-(2-Bromoethoxy)oxane
Canonical SMILES: C1CCOC(C1)OCCBr
InChI: InChI=1S/C7H13BrO2/c8-4-6-10-7-3-1-2-5-9-7/h7H,1-6H2
InChIKey: GCUOLJOTJRUDIZ-UHFFFAOYSA-N
Molecular Weight: 209.08092 [g/mol]
Molecular Formula: C7H13BrO2
XLogP3-AA: 1.7
H-Bond Donor: 0
H-Bond Acceptor: 2
Rotatable Bond Count: 3
Exact Mass: 208.009892
MonoIsotopic Mass: 208.009892
Topological Polar Surface Area: 18.5
Heavy Atom Count: 10
Complexity: 87.7
Index of Refraction: 1.483
Molar Refractivity: 43.59 cm3
Molar Volume: 152.4 cm3
Surface Tension: 35.5 dyne/cm
Density: 1.37 g/cm3
Flash Point: 112.5 °C
Enthalpy of Vaporization: 47.54 kJ/mol
Boiling Point: 257.8 °C at 760 mmHg
Vapour Pressure: 0.0229 mmHg at 25 °C
Safety Information of 2-(2-Bromoethoxy)tetrahydro-2H-pyran (CAS NO.59146-56-4):
WGK Germany: 3
2-(2-Bromoethoxy)tetrahydro-2H-pyran (CAS NO.59146-56-4), its Synonyms are 2-(2-Bromo-ethoxy)-tetrahydro-pyran ; 2-Bromo-o-tetrahydropyranyl-ethanol ; 2-(2-Bromoethoxy)tetrahydro-2H-pyran, 96 % ; 2H-Pyran, 2- (2-bromoethoxy)tetrahydro- .
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