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Cas Database |
| Name |
Benzene, 1,3,5-triiodo- |
EINECS | 604-604-1 |
| CAS No. | 626-44-8 | Density | 2.928 g/cm3 |
| PSA | 0.00000 | LogP | 3.50040 |
| Solubility | N/A | Melting Point |
184.2°C |
| Formula | C6H3I3 | Boiling Point | 383.8 °C at 760 mmHg |
| Molecular Weight | 455.803 | Flash Point | 209 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1,3,5-Triiodobenzene; |
Article Data | 25 |
Benzene, 1,3,5-triiodo- Synthetic route
| Conditions | Yield |
|---|---|
| With Iodine monochloride In dichloromethane at 0 - 20℃; | 92% |
| With Iodine monochloride In dichloromethane at 0 - 20℃; | 91% |
| With Iodine monochloride In dichloromethane at 0℃; | 90% |
| With Iodine monochloride In tetrachloromethane at 20℃; for 24h; | 36% |
- 24154-37-8
2,4,6-triiodoaniline
- 626-44-8
1,3,5-Triiodobenzene
| Conditions | Yield |
|---|---|
| Stage #1: 2,4,6-triiodoaniline With sulfuric acid; acetic acid; sodium nitrite at 20℃; for 0.5h; Stage #2: With copper(I) oxide In ethanol for 0.5h; Heating; | 84% |
| With sulfuric acid; sodium nitrite; benzene | |
| deamination; Yield given; |
| Conditions | Yield |
|---|---|
| With iodine; nickel; potassium iodide In N,N-dimethyl-formamide at 187℃; for 8h; Schlenk technique; Inert atmosphere; | 83% |
| With nickel; potassium iodide In N,N-dimethyl-formamide at 185 - 190℃; for 3h; | 75% |
| With iodine; nickel; potassium iodide In dimethyl sulfoxide | 72% |
- 35122-96-4
3,5-diiodoaniline
- 626-44-8
1,3,5-Triiodobenzene
| Conditions | Yield |
|---|---|
| With hydrogenchloride; potassium iodide; sodium nitrite In acetonitrile at 0℃; | 79% |
- 626-44-8
1,3,5-Triiodobenzene
| Conditions | Yield |
|---|---|
| With potassium iodide at 20℃; | 68% |
- 111938-17-1
1-iodo-3,5-diaminobenzene
- 626-44-8
1,3,5-Triiodobenzene
| Conditions | Yield |
|---|---|
| Stage #1: 1-iodo-3,5-diaminobenzene With sulfuric acid; sodium nitrite at 0℃; Stage #2: With water; potassium iodide | 68% |
| Multi-step reaction with 2 steps 1: NaNO2 / H2SO4 / -10 - -5 °C 2: 68 percent / KI / 20 °C View Scheme |
- 626-39-1
1,3,5-trisbromobenzene
A
- 626-00-6
1,3-Diiodobenzene
B
- 626-44-8
1,3,5-Triiodobenzene
C
- 149428-64-8
1,3-diiodo-5-bromobenzene
| Conditions | Yield |
|---|---|
| With 1,3-dimethyl-1,3-diazacyclohexane; copper(l) iodide; potassium iodide at 155℃; for 24.5h; Substitution; | A n/a B 33% C n/a |
| Conditions | Yield |
|---|---|
| With sulfuric acid; iodine |
- 108673-30-9
3,4,5-triiodoaniline
- 626-44-8
1,3,5-Triiodobenzene
| Conditions | Yield |
|---|---|
| (deamination); |
| Conditions | Yield |
|---|---|
| Yield given; |
Benzene, 1,3,5-triiodo- Specification
This chemical is called Benzene, 1,3,5-triiodo-, and its CAS registry number is 626-44-8. With the molecular formula of C6H3I3, its molecular weight is 455.80.
Other characteristics of the Benzene, 1,3,5-triiodo- can be summarised as followings: (1)ACD/LogP: 3.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.94; (4)ACD/LogD (pH 7.4): 3.94; (5)ACD/BCF (pH 5.5): 584.83; (6)ACD/BCF (pH 7.4): 584.83; (7)ACD/KOC (pH 5.5): 3328.44; (8)ACD/KOC (pH 7.4): 3328.44; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.774; (13)Molar Refractivity: 64.97 cm3; (14)Molar Volume: 155.6 cm3; (15)Polarizability: 25.75×10-24cm3; (16)Surface Tension: 60.4 dyne/cm; (17)Density: 2.928 g/cm3; (18)Flash Point: 209 °C; (19)Enthalpy of Vaporization: 60.77 kJ/mol; (20)Boiling Point: 383.8 °C at 760 mmHg; (21)Vapour Pressure: 9.43E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Ic1cc(I)cc(I)c1
2.InChI: InChI=1/C6H3I3/c7-4-1-5(8)3-6(9)2-4/h1-3H
3.InChIKey: WXLJJIHGDBUBJM-UHFFFAOYAM
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