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| CAS No.: | 689260-53-5 |
|---|---|
| Name: | 2-bromo-5-iodo-1,3-dimethylbenzene |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C8H8BrI |
| Molecular Weight: | 310.96 |
| Synonyms: | 2,6-Dimethyl-4-iodobromobenzene;2-Bromo-5-iodo-1,3-dimethylbenzene; |
| Density: | 1.94 g/cm3 |
| Boiling Point: | 282.4 °C at 760 mmHg |
| Flash Point: | 124.6 °C |
| PSA: | 0.00000 |
| LogP: | 3.67050 |
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- Total:28 Page 1 of 1 1
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Specification
The Benzene, 2-bromo-5-iodo-1, 3-dimethyl-, with the CAS registry number 689260-53-5, is also known as 2, 6-Dimethyl-4-iodobromobenzene. This chemical's molecular formula is C8H8BrI and molecular weight is 310.9576. What's more, its systematic name is 2-Bromo-5-iodo-1, 3-dimethylbenzene.
Physical properties about Benzene, 2-bromo-5-iodo-1, 3-dimethyl- are: (1)ACD/LogP: 4.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.87; (4)ACD/LogD (pH 7.4): 4.87; (5)ACD/BCF (pH 5.5): 2963.87; (6)ACD/BCF (pH 7.4): 2963.87; (7)ACD/KOC (pH 5.5): 10635.36; (8)ACD/KOC (pH 7.4): 10635.36; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.622; (13)Molar Refractivity: 56.49 cm3; (14)Molar Volume: 160.2 cm3; (15)Polarizability: 22.39×10-24 cm3; (16)Surface Tension: 42.3 dyne/cm; (17)Density: 1.94 g/cm3; (18)Flash Point: 124.6 °C; (19)Enthalpy of Vaporization: 50.04 kJ/mol; (20)Boiling Point: 282.4 °C at 760 mmHg; (21)Vapour Pressure: 0.00573 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Ic1cc(C)c(Br)c(C)c1
(2) InChI: InChI=1/C8H8BrI/c1-5-3-7(10)4-6(2)8(5)9/h3-4H,1-2H3
(3) InChIKey: QFHHDLIXCIGLBS-UHFFFAOYAH