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CAS No.: | 39267-79-3 |
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Name: | 3-Bromo-oxetane |
Molecular Structure: | |
Formula: | C3H5BrO |
Molecular Weight: | 136.976 |
Synonyms: | 3-BROMO-OXETANE;Oxetane, 3-broMo-;2-Bromo-1,3-epoxypropane |
Density: | 1.793g/cm3 |
Boiling Point: | 130.5 °C at 760 mmHg |
Flash Point: | 48.2 °C |
Hazard Symbols: | Xn |
Risk Codes: | 10-22-36-36/37/38 |
Safety: | 26-60-37-23 |
PSA: | 9.23000 |
LogP: | 0.78010 |
The 3-Bromo-oxetane, with CAS registry number 39267-79-3, has the systematic name of 3-bromooxetane. Besides this, it is also called Oxetane, 3-bromo-. And the chemical formula of this chemical is C3H5BrO.
Physical properties of 3-Bromo-oxetane: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.24; (4)ACD/LogD (pH 7.4): 0.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 32.18; (8)ACD/KOC (pH 7.4): 32.18; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 23.22 cm3; (15)Molar Volume: 76.3 cm3; (16)Polarizability: 9.2×10-24cm3; (17)Surface Tension: 39.6 dyne/cm; (18)Density: 1.793 g/cm3; (19)Flash Point: 48.2 °C; (20)Enthalpy of Vaporization: 35.29 kJ/mol; (21)Boiling Point: 130.5 °C at 760 mmHg; (22)Vapour Pressure: 11.8 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrC1COC1
(2)InChI: InChI=1/C3H5BrO/c4-3-1-5-2-3/h3H,1-2H2
(3)InChIKey: SZTIZZFKWQWSSP-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C3H5BrO/c4-3-1-5-2-3/h3H,1-2H2
(5)Std. InChIKey: SZTIZZFKWQWSSP-UHFFFAOYSA-N