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338-61-4

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Basic Information
CAS No.: 338-61-4
Name: 3,3-Bis(fluoromethyl)oxetane
Article Data: 4
Molecular Structure:
Molecular Structure of 338-61-4 (3,3-Bis(fluoromethyl)oxetane)
Formula: C5H8F2O
Molecular Weight: 122.1132
Synonyms: HT159;3,3-Bis-fluormethyl-oxetan;3,3-bis-fluoromethyl-oxetane;
Density: 1.076 g/cm3
Boiling Point: 153.328 °C at 760 mmHg
Flash Point: 52.532 °C
PSA: 9.23000
LogP: 0.94200
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Specification

The CAS register number of 3,3-Bis(fluoromethyl)oxetane is 338-61-4. The molecular formula about this chemical is C5H8F2O and the molecular weight is 122.1132.

Physical properties about 3,3-Bis(fluoromethyl)oxetane are: (1)ACD/LogP: 0.33; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 28; (5)ACD/KOC (pH 7.4): 28; (6)#H bond acceptors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 9.23 Å2; (9)Index of Refraction: 1.36; (10)Molar Refractivity: 25.061 cm3; (11)Molar Volume: 113.478 cm3; (12)Polarizability: 9.935x10-24cm3; (13)Surface Tension: 26.23 dyne/cm; (14)Density: 1.076 g/cm3; (15)Flash Point: 52.532 °C; (16)Enthalpy of Vaporization: 37.405 kJ/mol; (17)Boiling Point: 153.328 °C at 760 mmHg; (18)Vapour Pressure: 4.294 mmHg at 25 °C.

Preparation: this chemical can be prepared by 3,3-Bis(fluoromethyl)oxetane. This reaction will need reagent of KF and catalytic agent of 18-Crown-6. The reaction time is 23 hours with reaction temperature of 100 °C. The yield is about 35%.

You can still convert the following datas into molecular structure:
(1)SMILES: FCC1(CF)COC1
(2)InChI: InChI=1/C5H8F2O/c6-1-5(2-7)3-8-4-5/h1-4H2
(3)InChIKey: MSXYVRFANVULOQ-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C5H8F2O/c6-1-5(2-7)3-8-4-5/h1-4H2
(5)Std. InChIKey: MSXYVRFANVULOQ-UHFFFAOYSA-N