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52918-86-2

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Basic Information
CAS No.: 52918-86-2
Name: 1,4-DIBROMOADAMANTANE
Molecular Structure:
Molecular Structure of 52918-86-2 (1,4-DIBROMOADAMANTANE)
Formula: C10H14Br2
Molecular Weight: 294.029
Synonyms: 1,4-Dibromoadamantane;
Density: 1.804 g/cm3
Melting Point: 95-98 °C(lit.)
Boiling Point: 295.8 °C at 760 mmHg
Flash Point: 151.8 °C
Hazard Symbols: Xi
PSA: 0.00000
LogP: 3.72350
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    Tricyclo[3.3.1.13,7]decane,1,4-dibromo-

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    1,4-DIBROMOADAMANTANE

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Specification

The Tricyclo[3.3.1.13,7]decane,1,4-dibromo-, with the CAS registry number of 52918-86-2, is also known as 1,4-Dibromoadamantane. Its molecular formula is C10H14Br2 and molecular weight is 294.03. What's more, its systematic name is 1,4-Dibromotricyclo[3.3.1.13,7]decane.

Physical properties about the Tricyclo[3.3.1.13,7]decane,1,4-dibromo- are: (1)ACD/LogP: 4.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.01; (4)ACD/LogD (pH 7.4): 4.01; (5)ACD/BCF (pH 5.5): 662.38; (6)ACD/BCF (pH 7.4): 662.38; (7)ACD/KOC (pH 5.5): 3638.75; (8)ACD/KOC (pH 7.4): 3638.75; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.626; (14)Molar Refractivity: 57.69 cm3; (15)Molar Volume: 162.9 cm3; (16)Surface Tension: 51.2 dyne/cm; (17)Density: 1.804 g/cm3; (18)Flash Point: 151.8 °C; (19)Enthalpy of Vaporization: 51.41 kJ/mol; (20)Boiling Point: 295.8 °C at 760 mmHg; (21)Vapour Pressure: 0.00263 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: BrC12CC3CC(C1)C(Br)C(C2)C3
(2) InChI: InChI=1/C10H14Br2/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7/h6-9H,1-5H2
(3) InChIKey: BPJZBMGMBABTDL-UHFFFAOYAV