Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Bromotetrahydro-2H-pyran |
EINECS | N/A |
CAS No. | 13047-01-3 | Density | 1.475 g/cm3 |
PSA | 9.23000 | LogP | 1.56030 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H9BrO | Boiling Point | 178 °C at 760 mmHg |
Molecular Weight | 165.03 | Flash Point | 69.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Pyran,3-bromotetrahydro- (6CI,7CI,8CI);3-Bromooxane;3-Bromotetrahydro-2H-pyran;3-Bromotetrahydropyran; |
Article Data | 4 |
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