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64785-96-2

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Basic Information
CAS No.: 64785-96-2
Name: 1,1,2-tribromooct-1-en-3-one
Molecular Structure:
Molecular Structure of 64785-96-2 (1,1,2-tribromooct-1-en-3-one)
Formula: C8H11Br3O
Molecular Weight: 362.887
Synonyms: Pentyl tribromo-vinyl ketone;
Density: 1.905 g/cm3
Boiling Point: 315.6 °C at 760 mmHg
Flash Point: 83.6 °C
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Specification

The 1-Octen-3-one,1,1,2-tribromo-, with the CAS registry number 64785-96-2, is also known as Pentyl tribromo-vinyl ketone. This chemical's molecular formula is C8H11Br3O and molecular weight is 362.88434. Its IUPAC name is called 1,1,2-tribromooct-1-en-3-one.

Physical properties of 1-Octen-3-one,1,1,2-tribromo-: (1)ACD/LogP: 3.63; (2)ACD/LogD (pH 5.5): 3.63; (3)ACD/LogD (pH 7.4): 3.63; (4)ACD/BCF (pH 5.5): 338.43; (5)ACD/BCF (pH 7.4): 338.43; (6)ACD/KOC (pH 5.5): 2250.06; (7)ACD/KOC (pH 7.4): 2250.06; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.565; (11)Molar Refractivity: 62.08 cm3; (12)Molar Volume: 190.4 cm3; (13)Surface Tension: 44.3 dyne/cm; (14)Density: 1.905 g/cm3; (15)Flash Point: 83.6 °C; (16)Enthalpy of Vaporization: 55.68 kJ/mol; (17)Boiling Point: 315.6 °C at 760 mmHg; (18)Vapour Pressure: 0.000433 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCC(=O)C(=C(Br)Br)Br
(2)InChI: InChI=1S/C8H11Br3O/c1-2-3-4-5-6(12)7(9)8(10)11/h2-5H2,1H3
(3)InChIKey: CNMOSZIVTRYXIH-UHFFFAOYSA-N