4-Iodobenzoyl chloride

The Benzoyl chloride,4-iodo-, with the CAS registry number 1711-02-0 and EINECS registry number 216-974-7, has the systematic name of 4-iodobenzoyl chloride. It is a kind of light yellow to beige crystalline powder, and belongs to the following product categories: Aromatic Halides (substituted); Acid Halides; Carbonyl Compounds; Organic Building Blocks. And the molecular formula of the chemical is C₇H₄ClIO.

The characteristics of Benzoyl chloride,4-iodo- are as followings: (1)ACD/LogP: 3.41; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.41; (4)ACD/LogD (pH 7.4): 3.41; (5)ACD/BCF (pH 5.5): 230.01; (6)ACD/BCF (pH 7.4): 230.01; (7)ACD/KOC (pH 5.5): 1706.65; (8)ACD/KOC (pH 7.4): 1706.65; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 49.4 cm³; (15)Molar Volume: 137.9 cm³; (16)Polarizability: 19.58×10^-24cm³; (17)Surface Tension: 49.9 dyne/cm; (18)Density: 1.932 g/cm³; (19)Flash Point: 120.7 °C; (20)Enthalpy of Vaporization: 55.14 kJ/mol; (21)Boiling Point: 310.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000594 mmHg at 25°C.

Preparation of Benzoyl chloride,4-iodo-: This chemical can be prepared by 4-iodo-benzoic acid. It is a kind of chlorination reaction, and need reagent SOCl₂. The reaction time is 12 hours with heating. 

Uses of Benzoyl chloride,4-iodo-: It can react with 4-iodo-aniline to produce 4-iodo-benzoic acid-(4-iodo-anilide). This reaction will need reagent pyridine. The reaction time is 1 hour with heating, and the yield is about 86%.   

You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection; Take off immediately all contaminated clothing; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(Cl)c1ccc(I)cc1
(2)InChI: InChI=1/C7H4ClIO/c8-7(10)5-1-3-6(9)4-2-5/h1-4H
(3)InChIKey: NJAKCIUOTIPYED-UHFFFAOYAU