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4277-22-9

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Basic Information
CAS No.: 4277-22-9
Name: 5,5,10,10-TETRABROMO-TRICYCLO[7.1.0.04,6]DECANE
Article Data: 9
Molecular Structure:
Molecular Structure of 4277-22-9 (5,5,10,10-TETRABROMO-TRICYCLO[7.1.0.04,6]DECANE)
Formula: C10H12Br4
Molecular Weight: 451.821
Synonyms: 5, 5, 10, 10-Tetrabromo-tricyclo[7.1.0.04, 6]decane;
Density: 2.331 g/cm3
Melting Point: 173-174 °C
Boiling Point: 388.4 °C at 760 mmHg
Flash Point: 183.1 °C
PSA: 0.00000
LogP: 5.02460
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Specification

The Tricyclo[7.1.0.04, 6]decane, 5, 5, 10, 10-tetrabromo-, with the CAS registry number of 4277-22-9, is also known as 5, 5, 10, 10-Tetrabromo-tricyclo[7.1.0.04, 6]decane. This chemical's molecular formula is C10H12Br4 and molecular weight is 451.82. What's more, its systematic name is called 5, 5, 10, 10-Tetrabromotricyclo[7.1.0.0~4, 6~]decane.

Physical properties about Tricyclo[7.1.0.04, 6]decane, 5, 5, 10, 10-tetrabromo- are: (1)ACD/LogP: 4.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.25; (4)ACD/LogD (pH 7.4): 4.25; (5)ACD/BCF (pH 5.5): 1007.58; (6)ACD/BCF (pH 7.4): 1007.58; (7)ACD/KOC (pH 5.5): 4913.02; (8)ACD/KOC (pH 7.4): 4913.02; (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: 1.679; (14)Molar Refractivity: 73.17 cm3; (15)Molar Volume: 193.7 cm3; (16)Surface Tension: 59.3 dyne/cm; (17)Density: 2.331 g/cm3; (18)Flash Point: 183.1 °C; (19)Enthalpy of Vaporization: 61.26 kJ/mol; (20)Boiling Point: 388.4 °C at 760 mmHg; (21)Vapour Pressure: 6.89E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: BrC2(Br)C1CCC3C(CCC12)C3(Br)Br
(2) InChI: InChI=1/C10H12Br4/c11-9(12)5-1-2-6-8(10(6,13)14)4-3-7(5)9/h5-8H,1-4H2
(3) InChIKey: CBZFVWOOXISXFJ-UHFFFAOYAH