2-CHLORO-5-IODOTOLUENE

The Benzene,1-chloro-4-iodo-2-methyl-, with its CAS registry number 116632-41-8, has the systematic name of 1-chloro-4-iodo-2-methylbenzene. With the molecular foumula of C₇H₆ClI, its formula weight is 252.48. Besides, its product categories are including Halogen Toluene; Chlorine Compounds; Iodine Compounds; Aryl; C7; Halogenated Hydrocarbons. When store it, you should keep it in the cool, dry and well-ventilated place, and this chemical will not decompose if follow the using and storage specifications.

The characteristics of Benzene,1-chloro-4-iodo-2-methyl- are as follows: (1)ACD/LogP: 4.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.23; (4)ACD/LogD (pH 7.4): 4.23; (5)ACD/BCF (pH 5.5): 972.63; (6)ACD/BCF (pH 7.4): 972.63; (7)ACD/KOC (pH 5.5): 4790.43; (8)ACD/KOC (pH 7.4): 4790.43; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Ų; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 48.87 cm³; (15)Molar Volume: 139.7 cm³; (16)Polarizability: 19.37×10^-24cm³; (17)Surface Tension: 42.3 dyne/cm; (18)Density: 1.806 g/cm³; (19)Flash Point: 100.4 °C; (20)Enthalpy of Vaporization: 45.99 kJ/mol; (21)Boiling Point: 242.4 °C at 760 mmHg; (22)Vapour Pressure: 0.053 mmHg at 25°C.

When you are dealing with this chemical, you should be careful. Being irritating to respiratory system, it may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing and then if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:Ic1ccc(Cl)c(c1)C
(2)InChI:InChI=1/C7H6ClI/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3
(3)InChIKey:MMBDKGFWRIYSRD-UHFFFAOYAD
(4)Std. InChI:InChI=1S/C7H6ClI/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H3
(5)Std. InChIKey:MMBDKGFWRIYSRD-UHFFFAOYSA-N