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CAS No.: | 78385-26-9 |
---|---|
Name: | 3-BROMOMETHYL-3-METHYLOXETANE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C5H9BrO |
Molecular Weight: | 165.03 |
Synonyms: | 3-(Bromomethyl)-3-methyloxetane; |
Density: | 1.438 g/cm3 |
Boiling Point: | 162 °C at 760 mmHg |
Flash Point: | 62.3 °C |
Appearance: | Colourless liquid with a pungent odour |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 9.23000 |
LogP: | 1.41780 |
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The 3-(Bromomethyl)-3-methyloxetane is an organic compound with the formula C5H9BrO. The systematic name of this chemical is 3-(bromomethyl)-3-methyloxetane. With the CAS registry number 78385-26-9, the product's category is Halometyl.
Physical properties about 3-(Bromomethyl)-3-methyloxetane are: (1)ACD/LogP: 1.07; (2)ACD/LogD (pH 5.5): 1.07; (3)ACD/LogD (pH 7.4): 1.07; (4)ACD/BCF (pH 5.5): 3.82; (5)ACD/BCF (pH 7.4): 3.82; (6)ACD/KOC (pH 5.5): 90.86; (7)ACD/KOC (pH 7.4): 90.86; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 9.23 Å2; (11)Index of Refraction: 1.478; (12)Molar Refractivity: 32.47 cm3; (13)Molar Volume: 114.6 cm3; (14)Polarizability: 12.87×10-24cm3; (15)Surface Tension: 38 dyne/cm; (16)Density: 1.438 g/cm3; (17)Flash Point: 62.3 °C; (18)Enthalpy of Vaporization: 38.22 kJ/mol; (19)Boiling Point: 162 °C at 760 mmHg; (20)Vapour Pressure: 2.89 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrCC1(C)COC1
(2)InChI: InChI=1/C5H9BrO/c1-5(2-6)3-7-4-5/h2-4H2,1H3
(3)InChIKey: MGBZKWOJRYGRTO-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C5H9BrO/c1-5(2-6)3-7-4-5/h2-4H2,1H3
(5)Std. InChIKey: MGBZKWOJRYGRTO-UHFFFAOYSA-N