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CAS No.: | 35842-60-5 |
---|---|
Name: | 3-(Bromomethyl)-3-(chloromethyl)oxetane |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C5H8BrClO |
Molecular Weight: | 199.4734 |
Synonyms: | Oxetane, 3-bromomethyl-3-chloromethyl; |
Density: | 1.568 g/cm3 |
Boiling Point: | 229.5 °C at 760 mmHg |
Flash Point: | 92.6 °C |
PSA: | 9.23000 |
LogP: | 1.63670 |
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The 3-(Bromomethyl)-3-(chloromethyl)oxetane, with the CAS registry number 35842-60-5, is also known as Oxetane, 3-bromomethyl-3-chloromethyl. This chemical's molecular formula is C5H8BrClO and molecular weight is 199.47342. Its systematic name is called 3-(bromomethyl)-3-(chloromethyl)oxetane.
Physical properties of 3-(Bromomethyl)-3-(chloromethyl)oxetane: (1)ACD/LogP: 1.12; (2)ACD/LogD (pH 5.5): 1.12; (3)ACD/LogD (pH 7.4): 1.12; (4)ACD/BCF (pH 5.5): 4.15; (5)ACD/BCF (pH 7.4): 4.15; (6)ACD/KOC (pH 5.5): 96.37; (7)ACD/KOC (pH 7.4): 96.37; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.498; (11)Molar Refractivity: 37.31 cm3; (12)Molar Volume: 127.1 cm3; (13)Surface Tension: 44.4 dyne/cm; (14)Density: 1.568 g/cm3; (15)Flash Point: 92.6 °C; (16)Enthalpy of Vaporization: 44.71 kJ/mol; (17)Boiling Point: 229.5 °C at 760 mmHg; (18)Vapour Pressure: 0.105 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCC1(CBr)COC1
(2)InChI: InChI=1/C5H8BrClO/c6-1-5(2-7)3-8-4-5/h1-4H2
(3)InChIKey: WHFZYXGDOQLICS-UHFFFAOYAD