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24459-40-3

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Basic Information
CAS No.: 24459-40-3
Name: 2,12-DIBROMOCYCLODODECANONE
Article Data: 9
Molecular Structure:
Molecular Structure of 24459-40-3 (2,12-DIBROMOCYCLODODECANONE)
Formula: C12H20Br2O
Molecular Weight: 340.098
Synonyms: 2,12-Dibromocyclododecanone;NSC 93954;
EINECS: 246-268-4
Density: 1.428 g/cm3
Melting Point: 126 °C
Boiling Point: 366.4 °C at 760 mmHg
Flash Point: 83.7 °C
PSA: 17.07000
LogP: 4.60700
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Specification

The Cyclododecanone,2,12-dibromo-, with the CAS registry number 24459-40-3, is also known as 2,12-Dibromocyclododecanone. Its EINECS registry number is 246-268-4. This chemical's molecular formula is C12H20Br2O and molecular weight is 340.09. Its IUPAC name is called 2,12-dibromocyclododecan-1-one.

Physical properties of Cyclododecanone,2,12-dibromo-: (1)ACD/LogP: 4.87; (2)ACD/LogD (pH 5.5): 4.87; (3)ACD/LogD (pH 7.4): 4.87; (4)ACD/BCF (pH 5.5): 2961.56; (5)ACD/BCF (pH 7.4): 2961.56; (6)ACD/KOC (pH 5.5): 10629.41; (7)ACD/KOC (pH 7.4): 10629.41; (8)#H bond acceptors: 1; (9)Index of Refraction: 1.508; (10)Molar Refractivity: 71.04 cm3; (11)Molar Volume: 238.1 cm3; (12)Surface Tension: 37.1 dyne/cm; (13)Density: 1.428 g/cm3; (14)Flash Point: 83.7 °C; (15)Enthalpy of Vaporization: 61.28 kJ/mol; (16)Boiling Point: 366.4 °C at 760 mmHg; (17)Vapour Pressure: 1.47E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CCCCC(C(=O)C(CCCC1)Br)Br
(2)InChI: InChI=1S/C12H20Br2O/c13-10-8-6-4-2-1-3-5-7-9-11(14)12(10)15/h10-11H,1-9H2
(3)InChIKey: CLAFKWVRFMBEBC-UHFFFAOYSA-N