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| CAS No.: | 106265-08-1 |
|---|---|
| Name: | 2-bromooctanoyl bromide |
| Molecular Structure: | |
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| Formula: | C8H14Br2O |
| Molecular Weight: | 286.007 |
| Synonyms: | 2-Bromooctanoylbromide; |
| Density: | 1.551 g/cm3 |
| Boiling Point: | 255.86 °C at 760 mmHg |
| Flash Point: | 61.136 °C |
| Appearance: | colourless to light yellow oily transparent liquid |
| PSA: | 17.07000 |
| LogP: | 3.64180 |
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Specification
The 2-Bromooctanoyl bromide, with the CAS registry number 106265-08-1, is also known as Octanoyl bromide,2-bromo-. This chemical's molecular formula is C8H14Br2O and molecular weight is 286.00. What's more, its systematic name is 2-Bromooctanoyl bromide.
Physical properties of 2-Bromooctanoyl bromide are: (1)ACD/LogP: 4.041; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.04; (4)ACD/LogD (pH 7.4): 4.04; (5)ACD/BCF (pH 5.5): 693.83; (6)ACD/BCF (pH 7.4): 693.83; (7)ACD/KOC (pH 5.5): 3761.59; (8)ACD/KOC (pH 7.4): 3761.59; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 54.564 cm3; (15)Molar Volume: 184.449 cm3; (16)Polarizability: 21.631×10-24cm3; (17)Surface Tension: 37.7 dyne/cm; (18)Density: 1.551 g/cm3; (19)Flash Point: 61.136 °C; (20)Enthalpy of Vaporization: 49.335 kJ/mol; (21)Boiling Point: 255.86 °C at 760 mmHg; (22)Vapour Pressure: 0.02 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCC(Br)C(Br)=O
(2)Std. InChI: InChI=1S/C8H14Br2O/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6H2,1H3
(3)Std. InChIKey: QEJYOKHMHBRARP-UHFFFAOYSA-N