3-Bromotetrahydro-2H-pyran supplier

Name
3-BROMO-TETRAHYDRO-PYRAN
EINECS
CAS No. 13047-01-3
Article Data4
CAS DataBase
Density 1.475 g/cm³
Solubility
Melting Point
Formula C₅H₉BrO
Boiling Point 178 °C at 760 mmHg
Molecular Weight 165.03
Flash Point 69.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyran,3-bromotetrahydro- (6CI,7CI,8CI);3-Bromooxane;3-Bromotetrahydro-2H-pyran;3-Bromotetrahydropyran;
PSA 9.23000
LogP 1.56030

3-Bromotetrahydro-2H-pyran Specification

This chemical is called 3-Bromotetrahydro-2H-pyran, and its systematic name is 3-bromotetrahydro-2H-pyran. With the molecular formula of C₅H₉BrO, its molecular weight is 165.03. The CAS registry number of this chemical is 13047-01-3.

Other characteristics of the 3-Bromotetrahydro-2H-pyran can be summarised as followings: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): 1.04; (5)ACD/BCF (pH 5.5): 3.64; (6)ACD/BCF (pH 7.4): 3.64; (7)ACD/KOC (pH 5.5): 87.74; (8)ACD/KOC (pH 7.4): 87.74; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0 ; (12)Index of Refraction: 1.491; (13)Molar Refractivity: 32.45 cm³; (14)Molar Volume: 111.8 cm³; (15)Polarizability: 12.86×10^-24cm³; (16)Surface Tension: 34.8 dyne/cm; (17)Density: 1.475 g/cm³; (18)Flash Point: 69.2 °C; (19)Enthalpy of Vaporization: 39.73 kJ/mol; (20)Boiling Point: 178 °C at 760 mmHg; (21)Vapour Pressure: 1.37 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: BrC1CCCOC1
2.InChI: InChI=1/C5H9BrO/c6-5-2-1-3-7-4-5/h5H,1-4H2
3.InChIKey: FQBAAVZEEPNKMR-UHFFFAOYAI

Product Name

3-BROMO-TETRAHYDRO-PYRAN

3-Bromotetrahydro-2H-pyran Specification

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