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CAS No.: | 206559-43-5 |
---|---|
Name: | 5-Bromo-2-iodo-m-xylene |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C8H8BrI |
Molecular Weight: | 310.96 |
Synonyms: | 4-Bromo-2,6-dimethyliodobenzene;5-Bromo-2-iodo-1,3-dimethylbenzene;5-Bromo-2-Iodo-m-xylene; |
EINECS: | 606-594-3 |
Density: | 1.94g/cm3 |
Melting Point: | 42 °C |
Boiling Point: | 282.4 °C at 760 mmHg |
Flash Point: | 124.6 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 0.00000 |
LogP: | 3.67050 |
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The 5-Bromo-2-iodo-m-xylene, with CAS registry number 206559-43-5, has the systematic name of 5-bromo-2-iodo-1,3-dimethylbenzene. Besides this, it is also called 5-Bromo-2-iodo-m-xylene. This chemical should be stored in the refrigerator. And the chemical formula of this chemical is C8H8BrI.
Physical properties of 5-Bromo-2-iodo-m-xylene: (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)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 56.49 cm3; (15)Molar Volume: 160.2 cm3; (16)Polarizability: 22.39×10-24cm3; (17)Surface Tension: 42.3 dyne/cm; (18)Density: 1.94 g/cm3; (19)Flash Point: 124.6 °C; (20)Enthalpy of Vaporization: 50.04 kJ/mol; (21)Boiling Point: 282.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00573 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 5-Bromo-2-iodo-m-xylene irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1c(cc(Br)cc1C)C
(2)InChI: InChI=1/C8H8BrI/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3
(3)InChIKey: BSIRLLZFIVAHES-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H8BrI/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3
(5)Std. InChIKey: BSIRLLZFIVAHES-UHFFFAOYSA-N