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CAS No.: | 906352-72-5 |
---|---|
Name: | 4-(Tetrahydropyran-4-yloxy)benzyl bromide |
Molecular Structure: | |
Formula: | C12H15BrO2 |
Molecular Weight: | 271.1503 |
Synonyms: | 4-[4-(Bromomethyl)phenoxy]tetrahydropyran; |
Density: | 1.38 g/cm3 |
Melting Point: | 56-58 °C |
Boiling Point: | 355.7 °C at 760 mmHg |
Flash Point: | 158.8 °C |
Hazard Symbols: | C |
PSA: | 18.46000 |
LogP: | 3.13930 |
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The 2H-Pyran,4-[4-(bromomethyl)phenoxy]tetrahydro-, with the CAS registry number 906352-72-5, is also known as 4-(Tetrahydro-2H-pyran-4-yloxy)benzyl bromide. This chemical's molecular formula is C12H15BrO2 and molecular weight is 271.1503. What's more, its systematic name is called 4-[4-(Bromomethyl)phenoxy]tetrahydropyran. When you are dealing with this chemical, you should be very careful. This chemical may destroy living tissue on contact.
Physical properties about 2H-Pyran,4-[4-(bromomethyl)phenoxy]tetrahydro- are: (1) ACD/LogP: 2.78; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.78; (4) ACD/LogD (pH 7.4): 2.78; (5) #H bond acceptors: 2; (6) #H bond donors: 0; (7) #Freely Rotating Bonds: 3; (8) Polar Surface Area: 18.46 Å2; (9) Index of Refraction: 1.56; (10) Molar Refractivity: 63.6 cm3; (11) Molar Volume: 196.4 cm3; (12) Surface Tension: 43.6 dyne/cm; (13) Density: 1.38 g/cm3; (14) Flash Point: 158.8 °C; (15) Enthalpy of Vaporization: 57.72 kJ/mol; (16) Boiling Point: 355.7 °C at 760 mmHg; (17) Vapour Pressure: 6.28E-05 mmHg at 25 °C; (18) Melting Point: 56-58 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(ccc1CBr)OC2CCOCC2
(2) InChI: InChI=1/C12H15BrO2/c13-9-10-1-3-11(4-2-10)15-12-5-7-14-8-6-12/h1-4,12H,5-9H2
(3) InChIKey: NBJPUJKZSSFCBQ-UHFFFAOYAT