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| CAS No.: | 615-37-2 |
|---|---|
| Name: | 2-Iodotoluene |
| Article Data: | 121 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H7I |
| Molecular Weight: | 218.037 |
| Synonyms: | Toluene,o-iodo- (7CI,8CI);1-Iodo-2-methylbenzene;2-Methyl-1-iodobenzene;2-Methyliodobenzene;2-Methylphenyl iodide;2-Tolyliodide;NSC 3774;o-Iodotoluene;o-Methyliodobenzene;o-Methylphenyl iodide;o-Tolyl iodide; |
| EINECS: | 210-422-9 |
| Density: | 1.706 g/cm3 |
| Melting Point: | 11.27°C (estimate) |
| Boiling Point: | 211.499 °C at 760 mmHg |
| Flash Point: | 90 °C |
| Appearance: | clear yellow liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-37-36/37/39-27 |
| Transport Information: | UN 2810 |
| PSA: | 0.00000 |
| LogP: | 2.59960 |
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- 16419-60-6
2-Methylphenylboronic acid
- 615-37-2
ortho-methylphenyl iodide
| Conditions | Yield |
|---|---|
| With N-iodo-succinimide; [bis(trifluoromethanesulfonyl)imidate](triphenylphosphine)gold(I) at 90℃; for 0.0833333h; Reagent/catalyst; Microwave irradiation; | 100% |
| With potassium fluoride; iodine In 1,4-dioxane at 80℃; for 1h; | 88% |
| With copper(I) oxide; ammonium hydroxide; oxygen; potassium iodide In water at 25℃; for 24h; | 81% |
| Conditions | Yield |
|---|---|
| With potassium iodide In water at 25℃; for 0.0833333h; Sandmeyer Reaction; | 96% |
| With iodine; potassium iodide In dimethyl sulfoxide at 15℃; | |
| With diiodomethane; tetrabutylammonium perchlorate In methanol; N,N-dimethyl-formamide at 20℃; for 3h; Sandmeyer Reaction; Electrochemical reaction; | 53 %Chromat. |
| With trimethylsilyl iodide at 60 - 70℃; Inert atmosphere; Ionic liquid; |
| Conditions | Yield |
|---|---|
| With copper(l) iodide; trans-N,N'-dimethylcyclohexane-1,2-diamine; sodium iodide In acetonitrile at 150℃; for 1h; Buchwald's halogen exchange reaction; Inert atmosphere; Microwave irradiation; | 89% |
| With copper(l) iodide; pyrographite In neat (no solvent) at 150℃; for 23h; | 86% |
| With copper(I) oxide; L-proline; potassium iodide In ethanol at 110℃; for 30h; Schlenk technique; Inert atmosphere; Sealed tube; | 28% |
- 615-37-2
ortho-methylphenyl iodide
| Conditions | Yield |
|---|---|
| With chloroamine-T; sodium iodide In tetrahydrofuran; water at 20℃; for 0.166667h; | 86% |
| Conditions | Yield |
|---|---|
| With indium; water for 11h; ultrasound; | 85% |
- 615-37-2
ortho-methylphenyl iodide
| Conditions | Yield |
|---|---|
| With chloroamine-T; sodium iodide In tetrahydrofuran; water at 20℃; for 0.333333h; | 80% |
- 13716-12-6
tri-tert-butyl phosphine
- 615-37-2
ortho-methylphenyl iodide
| Conditions | Yield |
|---|---|
| In benzene-d6 at 70℃; Equilibrium constant; | 79% |
| Conditions | Yield |
|---|---|
| Stage #1: o-toluidine With sulfuric acid; silica gel; sodium nitrite at 20℃; grinding; Neat (no solvent); Stage #2: With water at 20℃; grinding; Neat (no solvent); Stage #3: With potassium iodide at 20℃; for 0.166667h; Sandmeyer reaction; grinding; Neat (no solvent); | 78% |
| Diazotization.Behandlung der Diazoniumsulfatloesung mit Jodwasserstoffsaeure; | |
| Multi-step reaction with 2 steps 1: 1) HCl, NaNO2, 2) K2CO3 / 1) H2O, 0 degC, 30 min 2: 72 percent / NaI, sulfonic acid resin (H+ form, Bio-Rad AG 50W-12) / acetonitrile / 0.13 h / 75 °C View Scheme |
- 615-37-2
ortho-methylphenyl iodide
| Conditions | Yield |
|---|---|
| With tetra-(n-butyl)ammonium iodide In acetonitrile at 20℃; for 0.75h; Substitution; | 75% |
- 201230-82-2
carbon monoxide
- 16825-70-0
1-iodyl-2-methylbenzene
A
- 118-90-1
ortho-methylbenzoic acid
B
- 615-37-2
ortho-methylphenyl iodide
| Conditions | Yield |
|---|---|
| With sodium tetrachloropalladate; sodium carbonate In water at 40℃; for 10h; Yields of byproduct given; | A 74% B n/a |
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Specification
The 2-Iodotoluene, with the CAS registry number 615-37-2, is also known as Benzene, 1-iodo-2-methyl-. It belongs to the product categories of Aromatic Hydrocarbons (substituted) & Derivatives; Halogen Toluene; Iodine Compounds. Its EINECS registry number is 210-422-9. This chemical's molecular formula is C7H7I and molecular weight is 218.03. What's more, both its IUPAC name and systematic name are the same which is called 1-Iodo-2-methylbenzene. It should be stored in a cool, dry and well-ventilated place.
Physical properties about 2-Iodotoluene are: (1)ACD/LogP: 3.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.95; (4)ACD/LogD (pH 7.4): 3.95; (5)ACD/BCF (pH 5.5): 591.34; (6)ACD/BCF (pH 7.4): 591.34; (7)ACD/KOC (pH 5.5): 3354.92; (8)ACD/KOC (pH 7.4): 3354.92; (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: 1.605; (14)Molar Refractivity: 43.985 cm3; (15)Molar Volume: 127.781 cm3; (16)Polarizability: 17.437×10-24cm3; (17)Surface Tension: 39.591 dyne/cm; (18)Density: 1.706 g/cm3; (19)Flash Point: 90 °C; (20)Enthalpy of Vaporization: 42.953 kJ/mol; (21)Boiling Point: 211.499 °C at 760 mmHg; (22)Vapour Pressure: 0.264 mmHg at 25 °C.
Preparation of 2-Iodotoluene: this chemical can be prepared by methylbenzene. This reaction needs reagents N-iodosuccinimide, FeCl3 and solvent acetonitrile at temperature of 60 °C. The reaction time is 1 hour. The yield is 43 %.
Uses of 2-Iodotoluene: it is used to produce other chemicals. For example, it can react with peroxyacetic acid to get 2-diacetoxyiodanyl-toluene. The reaction time is 23 min. The yield is 93 %.
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. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. 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: Ic1ccccc1C
(2) InChI: InChI=1S/C7H7I/c1-6-4-2-3-5-7(6)8/h2-5H,1H3
(3) InChIKey: RINOYHWVBUKAQE-UHFFFAOYSA-N