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624-38-4

Basic Information
CAS No.: 624-38-4
Name: 1,4-Diiodobenzene
Article Data: 128
Cas Database
Molecular Structure:
Molecular Structure of 624-38-4 (1,4-Diiodobenzene)
Formula: C6H4I2
Molecular Weight: 329.907
Synonyms: 1,4-Diiobenzene;Benzene, p-diiodo- (8CI);Benzene, 1,4-diiodo-;p-Benzene diiodide;p-Diiodobenzene;Benzene, p-diiodo-;
EINECS: 210-842-2
Density: 2.469 g/cm3
Melting Point: 131-133 °C(lit.)
Boiling Point: 284.999 °C at 760 mmHg
Flash Point: 137.704 °C
Solubility: Soluble in ether and ethanol. Insoluble in water.
Appearance: white to light yellow crystal powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 22-24/25
PSA: 0.00000
LogP: 2.89580
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Specification

The 1,4-Diiodobenzene, with the CAS registry number 624-38-4, is also known as Benzene, 1,4-diiodo-. It belongs to the product categories of Iodine Compounds; Aryl; C6; Halogenated Hydrocarbons. Its EINECS registry number is 210-842-2. This chemical's molecular formula is C6H4I2 and molecular weight is 329.90. What's more, its IUPAC name is the same with product name. It should be stored in a cool, dry and well-ventilated place. The place must be far away from the oxidant.

Physical properties about 1,4-Diiodobenzene are: (1)ACD/LogP: 4.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.11; (4)ACD/LogD (pH 7.4): 4.11; (5)ACD/BCF (pH 5.5): 782.71; (6)ACD/BCF (pH 7.4): 782.71; (7)ACD/KOC (pH 5.5): 4100.53; (8)ACD/KOC (pH 7.4): 4100.53; (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: 1.708; (14)Molar Refractivity: 52.066 cm3; (15)Molar Volume: 133.579 cm3; (16)Polarizability: 20.641×10-24cm3; (17)Surface Tension: 51.88 dyne/cm; (18)Density: 2.47 g/cm3; (19)Flash Point: 137.704 °C; (20)Enthalpy of Vaporization: 50.299 kJ/mol; (21)Boiling Point: 284.999 °C at 760 mmHg; (22)Vapour Pressure: 0.0050 mmHg at 25 °C.

Preparation of 1,4-Diiodobenzene: this chemical can be prepared by iodobenzene. This reaction needs reagent 2,4,6,8-tetraiodoglycoluril and solvent H2SO4 at temperature of 0 °C. The reaction time is 15 min. The yield is 45 %.

1,4-Diiodobenzene can be prepared by iodobenzene.

Uses of 1,4-Diiodobenzene: (1) it is used in organic synthesis; (2) it is used to produce other chemicals. For example, it can react with 10H-phenothiazine to get 1,4-di-phenothiazin-10-yl-benzene. The reaction occurs with reagents K2CO3 and Cu at temperature of 200 °C. The reaction time is 60 hours. The yield is 28 %.

1,4-Diiodobenzene can react with 10H-phenothiazine to get 1,4-di-phenothiazin-10-yl-benzene.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. The gas can not be breathed. Therefore, you should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: Ic1ccc(I)cc1
(2) InChI: InChI=1S/C6H4I2/c7-5-1-2-6(8)4-3-5/h1-4H
(3) InChIKey: LFMWZTSOMGDDJU-UHFFFAOYSA-N