Products Categories
CAS No.: | 260558-15-4 |
---|---|
Name: | 4-BROMO-2-IODOTOLUENE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C7H6BrI |
Molecular Weight: | 296.933 |
Synonyms: | 4-BROMO-2-IODOTOLUENE;4-Bromo-2-iodo-1-methylbenzene |
Density: | 2.062 g/cm3 |
Melting Point: | 262-267℃ |
Boiling Point: | 268.4 °C at 760 mmHg |
Flash Point: | 116.1 °C |
PSA: | 0.00000 |
LogP: | 3.36210 |
What can I do for you?
Get Best Price
This chemical is called Benzene, 4-bromo-2-iodo-1-methyl-, and its systematic name is 4-Bromo-2-iodo-1-methylbenzene. With the molecular formula of C7H6BrI, its molecular weight is 296.93. The CAS registry number of this chemical is 260558-15-4. Additionally, its product categories are Bromine Compounds; Iodine Compounds. However, it should be stored at room temperature.
Other characteristics of the chemical can be summarised as followings: (1)ACD/LogP: 4.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.49; (4)ACD/LogD (pH 7.4): 4.49; (5)ACD/BCF (pH 5.5): 1516.08; (6)ACD/BCF (pH 7.4): 1516.08; (7)ACD/KOC (pH 5.5): 6582.01; (8)ACD/KOC (pH 7.4): 6582.01; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.636; (13)Molar Refractivity: 51.67 cm3; (14)Molar Volume: 143.9 cm3; (15)Polarizability: 20.48×10-24cm3; (16)Surface Tension: 44.1 dyne/cm; (17)Density: 2.062 g/cm3; (18)Flash Point: 116.1 °C; (19)Enthalpy of Vaporization: 48.61 kJ/mol; (20)Boiling Point: 268.4 °C at 760 mmHg; (21)Vapour Pressure: 0.0127 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cc1ccc(Br)cc1I
2.InChI: InChI=1/C7H6BrI/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3
3.InChIKey: LRVKMSDCJCZTTB-UHFFFAOYAY