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| CAS No.: | 626-00-6 |
|---|---|
| Name: | 1,3-Diiodobenzene |
| Article Data: | 30 |
| Molecular Structure: | |
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| Formula: | C6H4I2 |
| Molecular Weight: | 329.907 |
| Synonyms: | Benzene,m-diiodo- (6CI,7CI,8CI);1,3-Diiodobenzene;m-Diiodobenzene; |
| EINECS: | 210-921-1 |
| Density: | 2.469g/cm3 |
| Melting Point: | 34-37 °C(lit.) |
| Boiling Point: | 285.7 °C at 760 mmHg |
| Flash Point: | 145.2 °C |
| Solubility: | Insoluble in water. Soluble in hot methanol. |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36-37/39 |
| PSA: | 0.00000 |
| LogP: | 2.89580 |
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Specification
The 1,3-Diiodobenzene, with CAS registry number 626-00-6, belongs to the following product categories: (1)Organics; (2)Iodine Compounds; (3)Aryl; (4)C6; (5)Halogenated Hydrocarbons. It has the systematic name of 1,3-Diiodobenzene. This chemical is a kind of white to light yellow crystal powder. The main use of this chemical is for organic synthesis. And this chemical can be prepared by the diazotization of m-phenylenediamine hydrochloride.
Physical properties of 1,3-Diiodobenzene: (1)ACD/LogP: 3.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.83; (4)ACD/LogD (pH 7.4): 3.83; (5)#H bond acceptors: 0; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Index of Refraction: 1.707; (9)Molar Refractivity: 52.06 cm3; (10)Molar Volume: 133.5 cm3; (11)Polarizability: 20.64×10-24cm3; (12)Surface Tension: 51.8 dyne/cm; (13)Density: 2.469 g/cm3; (14)Flash Point: 145.2 °C; (15)Enthalpy of Vaporization: 50.37 kJ/mol; (16)Boiling Point: 285.7 °C at 760 mmHg; (17)Vapour Pressure: 0.00474 mmHg at 25°C.
Uses of 1,3-Diiodobenzene: it can be used to produce 8,14-Dimethyldibenzo[b,j][1,7]phenanthrolin. This reaction will need reagents K2CO3, Cu and solvent dibutyl ether. The reaction time is 4 day(s) with reaction temperature of 180 ℃. The yield is about 57%.
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When you are using this chemical, please be cautious about it as the following:
The 1,3-Diiodobenzene 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: Ic1cccc(I)c1
(2)InChI: InChI=1/C6H4I2/c7-5-2-1-3-6(8)4-5/h1-4H
(3)InChIKey: SFPQFQUXAJOWNF-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C6H4I2/c7-5-2-1-3-6(8)4-5/h1-4H
(5)Std. InChIKey: SFPQFQUXAJOWNF-UHFFFAOYSA-N