2,6-DICHLOROIODOBENZENE

The Benzene,1,3-dichloro-2-iodo-, with CAS registry number 19230-28-5, has the systematic name of 1,3-dichloro-2-iodobenzene. And its IUPAC name is the same one. This chemical is a kind of white to light yellow crystal powder. And the chemical formula of this chemical is C₆H₃Cl₂I.

Physical properties of Benzene,1,3-dichloro-2-iodo-: (1)ACD/LogP: 4.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.97; (4)ACD/LogD (pH 7.4): 4.97; (5)ACD/BCF (pH 5.5): 3536.1; (6)ACD/BCF (pH 7.4): 3536.1; (7)ACD/KOC (pH 5.5): 12067.81; (8)ACD/KOC (pH 7.4): 12067.81; (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: 1.642; (14)Molar Refractivity: 48.94 cm³; (15)Molar Volume: 135.4 cm³; (16)Polarizability: 19.4×10^-24cm³; (17)Surface Tension: 47 dyne/cm; (18)Enthalpy of Vaporization: 48.6 kJ/mol; (19)Vapour Pressure: 0.0128 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,3-Dichlor-2-trimethylsilylbenzol. This reaction will need reagent ICl and solvent CCl₄. The reaction time is 24 hour(s). The yield is about 95%.

Uses of p-Chloropropiophenone: it can be used to produce 2,6,2',6'-tetrachloro-biphenyl. This reaction will need reagent copper powder. The reaction time is 2 hour(s) with the temperature of 200 ℃.

When you are using this chemical, please be cautious about it as the following:
The Benzene,1,3-dichloro-2-iodo- 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: Clc1cccc(Cl)c1I
(2)InChI: InChI=1/C6H3Cl2I/c7-4-2-1-3-5(8)6(4)9/h1-3H
(3)InChIKey: ZMPGXSFTXBOKFM-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C6H3Cl2I/c7-4-2-1-3-5(8)6(4)9/h1-3H
(5)Std. InChIKey: ZMPGXSFTXBOKFM-UHFFFAOYSA-N