| Identification | More | [Name]
METHYL 3,5-DIBROMOBENZOATE | [CAS]
51329-15-8 | [Synonyms]
3,5-DIBROMOBENZOIC ACID METHYL ESTER
3,5-DIBROMOMETHYLBENZOATE
METHYL 3,5-DIBROMOBENZOATE
RARECHEM AL BF 0770
Methyl 3,5-dibromobenzoate, 98+% | [EINECS(EC#)]
610-649-7 | [Molecular Formula]
C8H6Br2O2 | [MDL Number]
MFCD00082648 | [Molecular Weight]
293.94 | [MOL File]
51329-15-8.mol |
| Chemical Properties | Back Directory | [Melting point ]
64-65°C | [Boiling point ]
294.2±20.0 °C(Predicted) | [density ]
1.840±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
powder to crystal | [color ]
White to Orange to Green | [BRN ]
2255855 | [InChI]
InChI=1S/C8H6Br2O2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3 | [InChIKey]
GSMAWUZTAIOCPL-UHFFFAOYSA-N | [SMILES]
C(OC)(=O)C1=CC(Br)=CC(Br)=C1 | [CAS DataBase Reference]
51329-15-8(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [HS Code ]
29163990 |
| Hazard Information | Back Directory | [Synthesis]
3,5-Dibromobenzoic acid (10.5 g, 37.5 mmol) was dissolved in methanol (212 mL) with acetyl chloride (6.7 mL, 93.8 mmol) in a reactor and the reaction was stirred at room temperature for 17 hours. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure. The resulting crude product was purified by column chromatography (silica gel as stationary phase, hexane/ethyl acetate gradient elution) to afford 11.0 g of methyl 3,5-dibromobenzoate in 99% yield. | [References]
[1] Patent: WO2016/91776, 2016, A1. Location in patent: Page/Page column 161; 162 |
|
|