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36603-49-3

Basic Information
CAS No.: 36603-49-3
Name: 2-(4-BROMOPHENOXY)TETRAHYDRO-2H-PYRAN
Article Data: 52
Cas Database
Molecular Structure:
Molecular Structure of 36603-49-3 (2-(4-BROMOPHENOXY)TETRAHYDRO-2H-PYRAN)
Formula: C11H13BrO2
Molecular Weight: 257.127
Synonyms: Pyran,2-(p-bromophenoxy)tetrahydro- (6CI);2-(4-Bromophenoxy)-2H-tetrahydropyran;2-(4-Bromophenoxy)tetrahydropyran;4-(2-Tetrahydropyranyloxy)bromobenzene;4-(2-Tetrahydropyranyloxy)phenyl bromide;4-Bromophenyl 2-tetrahydropyranylether;p-Bromotetrahydro-2-(pyranyloxy)benzene;4-Bromophenyl THP ether;p-(2-Tetrahydropyranyloxy)phenyl bromide;p-(Tetrahydropyranyloxy)phenyl bromide;
EINECS: 917-304-2
Density: 1.403 g/cm3
Melting Point: 56-58 °C(lit.)
Boiling Point: 329.8 °C at 760 mmHg
Flash Point: 147.9 °C
Solubility: Slightly soluble in water.
PSA: 18.46000
LogP: 3.35450
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Specification

The 2H-Pyran,2-(4-bromophenoxy)tetrahydro- is an organic compound with the formula C11H13BrO2. The IUPAC name of this chemical is 2-(4-bromophenoxy)oxane. With the CAS registry number 36603-49-3, it is also named as 1-(2H-3,4,5,6-tetrahydropyran-2-yloxy)-4-bromobenzene. The product's categories are Bromine Compounds; Miscellaneous Compounds; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyrans; PyransHeterocyclic Building Blocks. Besides, it should be stored in a closed cool and dry place.

Physical properties about 2H-Pyran,2-(4-bromophenoxy)tetrahydro- are: (1)ACD/LogP: 3.16; (2)#H bond acceptors: 2; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 18.46 Å2; (5)Index of Refraction: 1.553; (6)Molar Refractivity: 58.64 cm3; (7)Molar Volume: 183.1 cm3; (8)Polarizability: 23.25×10-24cm3; (9)Surface Tension: 42 dyne/cm; (10)Density: 1.403 g/cm3; (11)Flash Point: 147.9 °C; (12)Enthalpy of Vaporization: 54.96 kJ/mol; (13)Boiling Point: 329.8 °C at 760 mmHg; (14)Vapour Pressure: 0.000332 mmHg at 25°C.

Preparation: this chemical can be prepared by 3,4-dihydro-2H-pyran and 4-bromo-phenol. This reaction will need reagent aqueous hydrochloric acid.

Uses of 2H-Pyran,2-(4-bromophenoxy)tetrahydro-: it can be used to produce 4-bromo-phenol at temperature of 20 °C. It will need reagent Sc(OTf)3, MeOH and solvent acetonitrile with reaction time of 30 min. The yield is about 98%.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc(OC1OCCCC1)cc2
(2)InChI: InChI=1/C11H13BrO2/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h4-7,11H,1-3,8H2
(3)InChIKey: MXDQGXMBJCGRCB-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C11H13BrO2/c12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11/h4-7,11H,1-3,8H2
(5)Std. InChIKey: MXDQGXMBJCGRCB-UHFFFAOYSA-N