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| CAS No.: | 26272-85-5 |
|---|---|
| Name: | 3-IODO-OXETANE |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C3H5IO |
| Molecular Weight: | 183.977 |
| Synonyms: | Propane,1,3-epoxy-2-iodo- (8CI); |
| Density: | 2.14 g/cm3 |
| Boiling Point: | 165.9 °C at 760 mmHg |
| Flash Point: | 54.1 °C |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38-10 |
| Safety: | 26-60-37-23 |
| PSA: | 9.23000 |
| LogP: | 0.82020 |
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Specification
The 3-iodooxetane, with the CAS registry number 26272-85-5, is also known as 3-Iodo-oxetane. This chemical's molecular formula is C3H5IO and molecular weight is 183.97567. Its systematic name is called 3-Iodooxetane.
Other characteristics of the 3-iodooxetane can be summarised as followings: (1)ACD/LogP: 0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.59; (4)ACD/LogD (pH 7.4): 0.59; (5)ACD/BCF (pH 5.5): 1.65; (6)ACD/BCF (pH 7.4): 1.65; (7)ACD/KOC (pH 5.5): 49.81; (8)ACD/KOC (pH 7.4): 49.81; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.58; (13)Molar Refractivity: 28.53 cm3; (14)Molar Volume: 85.6 cm3; (15)Polarizability: 11.31×10-24cm3; (16)Surface Tension: 39.2 dyne/cm; (17)Density: 2.14 g/cm3; (18)Flash Point: 54.1 °C; (19)Enthalpy of Vaporization: 38.58 kJ/mol; (20)Boiling Point: 165.9 °C at 760 mmHg; (21)Vapour Pressure: 2.41 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: C1C(CO1)I
2.InChI: InChI=1/C3H5IO/c4-3-1-5-2-3/h3H,1-2H2
3.InChIKey: KBEIFKMKVCDETC-UHFFFAOYAW