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CAS No.: | 25637-16-5 |
---|---|
Name: | 4-BROMO-TETRAHYDROPYRAN |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C5H9BrO |
Molecular Weight: | 165.03 |
Synonyms: | 4-Bromooxacyclohexane;4-Bromotetrahydro-2H-pyran; |
EINECS: | 687-292-9 |
Density: | 1.475 g/cm3 |
Boiling Point: | 177.986 °C at 760 mmHg |
Flash Point: | 69.202 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 9.23000 |
LogP: | 1.56030 |
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This chemical is called 2H-Pyran, 4-bromotetrahydro-, and its systematic name is 4-bromotetrahydro-2H-pyran. With the molecular formula of C5H9BrO, its molecular weight is 165.03. The CAS registry number of this chemical is 25637-16-5. Additionally, its product categories are Halides; Heterocycles; Organohalides; Pyran.
Other characteristics of the 2H-Pyran, 4-bromotetrahydro- can be summarised as followings: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 98; (8)ACD/KOC (pH 7.4): 98; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 9.23 ?2; (13)Index of Refraction: 1.492; (14)Molar Refractivity: 32.45 cm3; (15)Molar Volume: 111.859 cm3; (16)Polarizability: 12.864×10-24cm3; (17)Surface Tension: 34.845 dyne/cm; (18)Density: 1.475 g/cm3; (19)Flash Point: 69.202 °C; (20)Enthalpy of Vaporization: 39.728 kJ/mol; (21)Boiling Point: 177.986 °C at 760 mmHg; (22)Vapour Pressure: 1.366 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: BrC1CCOCC1
2.InChI: InChI=1/C5H9BrO/c6-5-1-3-7-4-2-5/h5H,1-4H2
3.InChIKey: IVBVKTPDEWDNRW-UHFFFAOYAI