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| CAS No.: | 33184-48-4 |
|---|---|
| Name: | 4-CHLORO-2-IODOTOLUENE |
| Molecular Structure: | |
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|
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| Formula: | C7H6ClI |
| Molecular Weight: | 252.482 |
| Synonyms: | Toluene,4-chloro-2-iodo- (8CI);2-Iodo-4-chlorotoluene;2-Methyl-5-chloroiodobenzene; |
| Density: | 1.807 g/cm3 |
| Melting Point: | -25°C |
| Boiling Point: | 245.2 °C at 760 mmHg |
| Flash Point: | 102.1 °C |
| Appearance: | clear liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 0.00000 |
| LogP: | 3.25300 |
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Specification
The 4-Chloro-2-iodotoluene, with the CAS registry number 33184-48-4, has the IUPAC name 4-chloro-2-iodo-1-methylbenzene. Its molecular formula is C7H6ClI and its molecular weight is 252.48. Additionally, its product categories are Halogen Toluene; Chlorine Compounds; Iodine Compounds.
Other characteristics of the 4-Chloro-2-iodotoluene can be summarised as followings: (1)ACD/LogP: 3.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.85; (4)ACD/LogD (pH 7.4): 3.85; (5)ACD/BCF (pH 5.5): 496.34; (6)ACD/BCF (pH 7.4): 496.34; (7)ACD/KOC (pH 5.5): 2959.68; (8)ACD/KOC (pH 7.4): 2959.68; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.616; (13)Molar Refractivity: 48.87 cm3; (14)Molar Volume: 139.7 cm3; (15)Polarizability: 19.37×10-24cm3; (16)Surface Tension: 42.3 dyne/cm; (17)Density: 1.806 g/cm3; (18)Flash Point: 102.1 °C; (19)Enthalpy of Vaporization: 46.28 kJ/mol; (20)Boiling Point: 245.2 °C at 760 mmHg; (21)Vapour Pressure: 0.0455 mmHg at 25°C.
Production method of the 4-Chloro-2-iodotoluene: It could be obtained by the reactant of 5-chloro-2-methyl-aniline. This reaction needs the reagents aq. HCl, NaNO2, KI and the reagent of H2O. The yield is 67 %.
Uses of the 4-Chloro-2-iodotoluene: It could react with 2,7-Divinylnaphthalene to obtain the 2,7-bis-[2-(5-chloro-2-methyl-phenyl)-vinyl]-naphthalene. This reaction needs the reagent Et3N and the solvent dimethylformamide. The yield is 43 %. In addition, this reaction should be taken for 20 hours at the temperature of 100 °C. Moreover, this is a a heck reaction.
![the 4-Chloro-2-iodotoluene could react with 2,7-Divinylnaphthalene to obtain the 2,7-bis-[2-(5-chloro-2-methyl-phenyl)-vinyl]-naphthalene](/UserFilesUpload/uses of the 4-Chloro-2-iodotoluene.jpg)
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: Ic1c(ccc(Cl)c1)C
2.InChI: InChI=1/C7H6ClI/c1-5-2-3-6(8)4-7(5)9/h2-4H,1H3
3.InChIKey: ZIOGCIPQDRCAKY-UHFFFAOYAV