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| CAS No.: | 17739-45-6 |
|---|---|
| Name: | 2-(2-BROMOETHOXY)TETRAHYDRO-2H-PYRAN |
| Article Data: | 73 |
| Molecular Structure: | |
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| Formula: | C7H13BrO2 |
| Molecular Weight: | 209.083 |
| Synonyms: | 1-(Tetrahydropyran-2-yloxy)-2-bromoethane;1-Bromo-2-(2-tetrahydropyranyloxy)ethane;1-Bromo-2-(tetrahydropyranyloxy)ethane;2-(2-Bromoethoxy)tetrahydro-1H-pyran;2-(2-Bromoethoxy)tetrahydropyran;2-Bromo-1-(tetrahydropyran-2-yloxy)ethane;2-Bromoethanol tetrahydropyranylether;2-Bromoethyl 2-tetrahydropyranyl ether;2-Tetrahydropyranyl 2-bromoethylether;2-[(2-Bromoethyl)oxy]tetrahydro-2H-pyran;2-[(Tetrahydropyran-2-yl)oxy]ethyl bromide; |
| EINECS: | 145-859-6 |
| Density: | 1.371 g/cm3 |
| Boiling Point: | 257.8 °C at 760 mmHg |
| Flash Point: | 112.5 °C |
| Appearance: | Clear pale yellow liquid |
| PSA: | 18.46000 |
| LogP: | 1.92450 |
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Specification
The 2H-Pyran,2-(2-bromoethoxy)tetrahydro-, with the CAS registry number 17739-45-6, has the systematic name of 2-(2-bromoethoxy)tetrahydro-2H-pyran. It is a kind of clear pale yellow liquid, and belongs to the following product categories: Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyrans; PyransHeterocyclic Building Blocks. And the molecular formula of the chemical is C7H13BrO2.
The characteristics of 2H-Pyran,2-(2-bromoethoxy)tetrahydro- are as followings: (1)ACD/LogP: 1.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.26; (4)ACD/LogD (pH 7.4): 1.26; (5)ACD/BCF (pH 5.5): 5.3; (6)ACD/BCF (pH 7.4): 5.3; (7)ACD/KOC (pH 5.5): 114.89; (8)ACD/KOC (pH 7.4): 114.89; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.483; (14)Molar Refractivity: 43.59 cm3; (15)Molar Volume: 152.4 cm3; (16)Polarizability: 17.28×10-24cm3; (17)Surface Tension: 35.5 dyne/cm; (18)Density: 1.37 g/cm3; (19)Flash Point: 112.5 °C; (20)Enthalpy of Vaporization: 47.54 kJ/mol; (21)Boiling Point: 257.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0229 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: BrCCOC1OCCCC1
(2)InChI: InChI=1/C7H13BrO2/c8-4-6-10-7-3-1-2-5-9-7/h7H,1-6H2
(3)InChIKey: GCUOLJOTJRUDIZ-UHFFFAOYAW