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CAS No.: | 6802-78-4 |
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Name: | 7,7-Dibromo-bicyclo[4.1.0]hept-3-ene |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C7H8Br2 |
Molecular Weight: | 251.949 |
Synonyms: | 3-Nocarene,7,7-dibromo- (8CI);7,7-Dibromobicyclo[4.1.0]hept-3-ene;7,7-Dibromonorcar-3-ene; |
Density: | 2.005 g/cm3 |
Boiling Point: | 228.8 °C at 760 mmHg |
Flash Point: | 98.3 °C |
PSA: | 0.00000 |
LogP: | 3.06850 |
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The Bicyclo[4.1.0]hept-3-ene,7,7-dibromo-, with the CAS registry number 6802-78-4, is also known as 7,7-Dibromonorcar-3-ene. This chemical's molecular formula is C7H8Br2 and molecular weight is 251.9464. What's more, its systematic name is 7,7-Dibromobicyclo[4.1.0]hept-3-ene.
Physical properties about Bicyclo[4.1.0]hept-3-ene,7,7-dibromo- are: (1)ACD/LogP: 2.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.95; (4)ACD/LogD (pH 7.4): 2.95; (5)ACD/BCF (pH 5.5): 103.19; (6) ACD/BCF (pH 7.4): 103.19; (7)ACD/KOC (pH 5.5): 961.54; (8)ACD/KOC (pH 7.4): 961.54; (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: 1.642; (14)Molar Refractivity: 45.41 cm3; (15)Molar Volume: 125.6 cm3; (16)Polarizability: 18×10-24 cm3; (17)Surface Tension: 51.5 dyne/cm; (18)Density: 2.005 g/cm3; (19)Flash Point: 98.3 °C; (20)Enthalpy of Vaporization: 44.65 kJ/mol; (21)Boiling Point: 228.8 °C at 760 mmHg; (22)Vapour Pressure: 0.108 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: BrC2(Br)C1C\C=C/CC12
(2) InChI: InChI=1/C7H8Br2/c8-7(9)5-3-1-2-4-6(5)7/h1-2,5-6H,3-4H2
(3) InChIKey: AWKRIXVNHXXYBN-UHFFFAOYAK