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CAS No.: | 101691-94-5 |
---|---|
Name: | 4-(IODOMETHYL)TETRAHYDRO-2H-PYRAN |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C6H11IO |
Molecular Weight: | 226.057 |
Synonyms: | 4-(Iodomethyl)tetrahydropyran;4-(Iodomethyl)tetrahydro-2H-pyran;(4-Tetrahydropyranyl)methyl iodide; |
Density: | 1.645 g/cm3 |
Boiling Point: | 229.1 °C at 760 mmHg |
Flash Point: | 92.4 °C |
Risk Codes: | 34 |
Safety: | 23-26-36/37/39-45 |
PSA: | 9.23000 |
LogP: | 1.84800 |
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The CAS register number of 2H-Pyran,tetrahydro-4-(iodomethyl)- is 101691-94-5. It also can be called as 4-(Iodomethyl)tetrahydro-2H-pyran and the IUPAC name about this chemical is 4-(iodomethyl)oxane. The molecular formula about this chemical is C6H11IO and the molecular weight is 226.06.
Physical properties about 2H-Pyran,tetrahydro-4-(iodomethyl)- are: (1)ACD/LogP: 1.83; (2)ACD/LogD (pH 5.5): 1.83; (3)ACD/LogD (pH 7.4): 1.83; (4)ACD/BCF (pH 5.5): 14.41; (5)ACD/BCF (pH 7.4): 14.41; (6)ACD/KOC (pH 5.5): 235; (7)ACD/KOC (pH 7.4): 235; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 9.23 Å2; (11)Index of Refraction: 1.528; (12)Molar Refractivity: 42.32 cm3; (13)Molar Volume: 137.3 cm3; (14)Polarizability: 16.77x10-24cm3; (15)Surface Tension: 38.9 dyne/cm; (16)Density: 1.645 g/cm3; (17)Flash Point: 92.4 °C; (18)Enthalpy of Vaporization: 44.68 kJ/mol; (19)Boiling Point: 229.1 °C at 760 mmHg; (20)Vapour Pressure: 0.107 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: ICC1CCOCC1
(2)InChI: InChI=1/C6H11IO/c7-5-6-1-3-8-4-2-6/h6H,1-5H2
(3)InChIKey: MQLFSPBSNWUXSO-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C6H11IO/c7-5-6-1-3-8-4-2-6/h6H,1-5H2
(5)Std. InChIKey: MQLFSPBSNWUXSO-UHFFFAOYSA-N