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CAS No.: | 19752-57-9 |
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Name: | 1,3-DIBROMO-5-IODOBENZENE |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C6H3Br2I |
Molecular Weight: | 361.802 |
Synonyms: | 1,3-Dibromo-5-iodobenzene;1-Iodo-3,5-dibromobenzene;3,5-Dibromoiodobenzene;3,5-Dibromophenyl iodide; |
Density: | 2.515 g/cm3 |
Melting Point: | 124.4-124.7℃ |
Boiling Point: | 302.679 °C at 760 mmHg |
Flash Point: | 136.856 °C |
PSA: | 0.00000 |
LogP: | 3.81620 |
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The Benzene,1,3-dibromo-5-iodo-, with the CAS registry number 19752-57-9, is also known as 3,5-Dibromo-1-iodobenzene. This chemical's molecular formula is C6H3Br2I and molecular weight is 361.8. What's more, its systematic name is called 1,3-Dibromo-5-iodobenzene.
Physical properties about Benzene,1,3-dibromo-5-iodo- are: (1) ACD/LogP: 5.09; (2) # of Rule of 5 Violations: 1; (3) ACD/LogD (pH 5.5): 5; (4) ACD/LogD (pH 7.4): 5; (5) ACD/BCF (pH 5.5): 2436; (6) ACD/BCF (pH 7.4): 2436; (7) ACD/KOC (pH 5.5): 9242; (8) ACD/KOC (pH 7.4): 9242; (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: 1.683; (14) Molar Refractivity: 54.54 cm3; (15) Molar Volume: 143.876 cm3; (16) Surface Tension: 50.676 dyne/cm; (17) Density: 2.515 g/cm3; (18) Flash Point: 136.856 °C; (19) Enthalpy of Vaporization: 52.121 kJ/mol; (20) Boiling Point: 302.679 °C at 760 mmHg; (21) Vapour Pressure: 0.002 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Ic1cc(Br)cc(Br)c1
(2) InChI: InChI=1/C6H3Br2I/c7-4-1-5(8)3-6(9)2-4/h1-3H
(3) InChIKey: KARUMYWDGQTPFL-UHFFFAOYAP