1-CHLORO-3-IODOPROPANE

The Propane,1-chloro-3-iodo-, with the CAS registry number 6940-76-7, is also known as 1-Chloro-3-iodo-propan. It belongs to the product categories of Omega-Functional Alkanols, Carboxylic Acids, Amines & Halides; Omega-Haloalkyl Chlorides. Its EINECS registry number is 230-088-8. This chemical's molecular formula is C₃H₆ClI and molecular weight is 204.44. What's more, both its IUPAC name and systematic name are the same which is called 1-Chloro-3-iodopropane. It is clear slightly yellowish to light pink liquid.

Physical properties about this chemical are: (1)ACD/LogP: 2.41; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.41; (4) ACD/LogD (pH 7.4): 2.41; (5)ACD/BCF (pH 5.5): 39.9; (6)ACD/BCF (pH 7.4): 39.9; (7)ACD/KOC (pH 5.5): 487.03; (8)ACD/KOC (pH 7.4): 487.03; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.536; (14)Molar Refractivity: 33.76 cm³; (15)Molar Volume: 108.2 cm³; (16)Polarizability: 13.38×10^-24cm³; (17)Surface Tension: 35.3 dyne/cm; (18)Density: 1.888 g/cm³; (19)Flash Point: 54.7 °C; (20)Enthalpy of Vaporization: 38.68 kJ/mol; (21)Boiling Point: 166.9 °C at 760 mmHg; (22)Vapour Pressure: 2.3 mmHg at 25 °C.

Preparation of Propane,1-chloro-3-iodo: this chemical can be prepared by 1-Bromo-3-chloro-propane.

This reaction needs reagent NaI and solvent Acetone on the condition of ambient temperature. The yield is 60 %.

Uses of Propane,1-chloro-3-iodo: it can react with Phenylacetic acid to give (3-Chloropropyl)phenyl acetic acid.

The reaction occurs with reagent LDA and solvent Hexamethylphosphoric acid triamide
Tetrahydrofuran on the condition of room temperature for 3 hours. The yield is 79 %.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: InChI=1/C3H6ClI/c4-2-1-3-5/h1-3H2
(2) InChI: SFOYQZYQTQDRIY-UHFFFAOYAI
(3) InChIKey: InChI=1S/C3H6ClI/c4-2-1-3-5/h1-3H2