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| | 2-Bromo-4-methylphenol Basic information |
| | 2-Bromo-4-methylphenol Chemical Properties |
| Melting point | 54-55 °C | | Boiling point | 245-247 °C | | density | 1.554±0.06 g/cm3 | Condition: Temp: 20 °C Press: 760 Torr | | refractive index | n20/D 1.578(lit.) | | Fp | >230 °F | | storage temp. | Inert atmosphere,Room Temperature | | solubility | soluble in Chloroform, Methanol | | pka | 8.73±0.18(Predicted) | | form | powder to lump to clear liquid | | color | White or Colorless to Light yellow | | Water Solubility | Slightly soluble in water. | | InChI | InChI=1S/C7H7BrO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3 | | InChIKey | MTIDYGLTAOZOGU-UHFFFAOYSA-N | | SMILES | C1(O)=CC=C(C)C=C1Br | | CAS DataBase Reference | 6627-55-0(CAS DataBase Reference) | | NIST Chemistry Reference | Phenol, 2-bromo-4-methyl-(6627-55-0) | | EPA Substance Registry System | Phenol, 2-bromo-4-methyl- (6627-55-0) |
| Hazard Codes | Xi,Xn | | Risk Statements | 36/37/38-21/22 | | Safety Statements | 26-37/39-36/37/39-24/25 | | WGK Germany | 3 | | RTECS | GO6868200 | | TSCA | TSCA listed | | HazardClass | IRRITANT | | HS Code | 29071990 | | Storage Class | 10 - Combustible liquids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| | 2-Bromo-4-methylphenol Usage And Synthesis |
| Chemical Properties | clear colourless to pale yellow liquid | | Uses | It is applied as a compound responsible for iodine off-flavor in wines. | | Synthesis | General procedure for the synthesis of 2-bromo-4-methylphenol from 4-(methoxymethoxy)toluene: To a 10 mL round-bottomed flask equipped with a magnetic stirring bar were added 4-(methoxymethoxy)toluene (0.1 mmol), carbon tetrabromide (33 mg, 0.1 mmol), anhydrous acetonitrile (1 mL), and tris(2,2'-bipyridine) ruthenium (II) dichloride (3.8 mg, 0.005 mmol). The reaction mixture was irradiated at room temperature using a blue LED (1 W) and air was continuously passed until the complete disappearance of the feedstock was shown by thin layer chromatography (TLC) monitoring. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure. The residue was purified by fast column chromatography to afford the target product 2-bromo-4-methylphenol. | | References | [1] Beilstein Journal of Organic Chemistry, 2014, vol. 10, p. 622 - 627 |
| | 2-Bromo-4-methylphenol Preparation Products And Raw materials |
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