Benzene, 1-iodo-2-methyl-
2-Iodotoluene
CAS: 615-37-2
Molecular Formula: C7H7I
Benzene, 1-iodo-2-methyl- - Names and Identifiers
| Name | 2-Iodotoluene |
| Synonyms | NSC 3774 O-IODOTOLUENE 2-Iodotoluene 2-IODOTOLUENE o-Iodotoluene o-Tolyl iodide Toluene,o-iodo- Toluene, o-iodo- o-Methyliodobenzene Toluene, o-iodo- (8CI) 2-Methyl-1-iodobenzene 1-Iodo-2-methylbenzene (2-Methylphenyl) iodide 1-Iodo-2-methylbenzene, Benzene, 1-iodo-2-methyl- 2-Iodotoluene (stabilized with Copper chip) |
| CAS | 615-37-2 |
| EINECS | 210-422-9 |
| InChI | InChI=1/C7H7I/c1-6-4-2-3-5-7(6)8/h2-5H,1H3 |
Benzene, 1-iodo-2-methyl- - Physico-chemical Properties
| Molecular Formula | C7H7I |
| Molar Mass | 218.04 |
| Density | 1.713g/mLat 25°C(lit.) |
| Melting Point | 11.27°C (estimate) |
| Boling Point | 211°C(lit.) |
| Flash Point | 194°F |
| Solubility | Chloroform (Sparingly), Methanol (Slightly) |
| Vapor Presure | 0.264mmHg at 25°C |
| Appearance | Liquid |
| Specific Gravity | 1.713 |
| Color | Clear yellow to orange |
| BRN | 1634294 |
| Storage Condition | Keep in dark place,Sealed in dry,Room Temperature |
| Sensitive | Light Sensitive |
| Refractive Index | n20/D 1.608(lit.) |
| Use | Mainly used as pharmaceutical intermediates in Biopharmaceuticals |
Benzene, 1-iodo-2-methyl- - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37 - Wear suitable gloves. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S27 - Take off immediately all contaminated clothing. |
| UN IDs | UN 2810 |
| WGK Germany | 3 |
| TSCA | T |
| HS Code | 29036990 |
| Hazard Class | IRRITANT |
Benzene, 1-iodo-2-methyl- - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| use | 2-iodotoluene belongs to an iodoaromatic compound. Halogenated aromatic compounds, such as iodide aromatic compounds, are important chemical raw materials and intermediates. Taking the most common iodobenzene as an example, iodobenzene has higher chemical activity than bromobenzene and chlorobenzene, so it is more widely used in catalytic C- C bonding and C- heteroatom bonding reactions. Mainly as a pharmaceutical intermediate in biopharmaceuticals |
| preparation | method 1. 0.2mL of cuprous oxide/NH3 catalytic system, 135.8mg of o-methylphenylboronic acid, 0.830g of potassium iodide and 2mL of water were added to a round bottom flask equipped with magnetic stirrer. At room temperature, open the system and react for 24 hours. After the reaction was completed, 1.5mL of sodium hydroxide solution with a concentration of 2mol/L was added and extracted with dichloromethane for 3 times, 2mL each time. The combined organic phase was concentrated to obtain 176mg of 2-iodotoluene with a yield of 81%. method 2. accurate weighing o-bromotoluene (42.8mg,0.25mmol), tetramethylammonium iodide (150.79mg,0.75mmol), cuprous oxide (3.6mg,0.025mmol), L-proline (5.8mg,0.05mmol), and sequentially adding into 25mL Schlenk bottle, adding refined ethanol (1.5mL), and reacting in an oil bath at 110 ℃ for 30h. After the reaction is over, the reaction liquid is filtered through a silica gel column into a 10mL volumetric flask, and the volume of the solution is quantified to the specified scale with ethyl acetate. Analyzing using gas chromatography, the yield of 2-iodotoluene was 28%. |
Last Update：2024-04-09 02:00:05
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