Methyl 4-bromobenzoate
Methyl 4-bromobenzoate
CAS: 619-42-1
Molecular Formula: C8H7BrO2
Methyl 4-bromobenzoate - Names and Identifiers
| Name | Methyl 4-bromobenzoate |
| Synonyms | BRBSME RARECHEM AL BF 0075 METHYL 4-BROMOBENZOATE METHYL P-BROMOBENZOATE Methyl 4-bromobenzoate Methyl-4-bromobenzoate 4-bromo-benzoicacimethylester 4-Bromobenzoic Acid Methyl Ester 4-BROMOBENZOIC ACID METHYL ESTER Benzoic acid, 4-bromo-, methyl ester Benzoic acid, p-bromo-, methyl ester |
| CAS | 619-42-1 |
| EINECS | 210-596-6 |
| InChI | InChI=1/C8H7BrO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3 |
| InChIKey | HANNIMAAZKBBRE-UHFFFAOYSA-N |
Methyl 4-bromobenzoate - Physico-chemical Properties
| Molecular Formula | C8H7BrO2 |
| Molar Mass | 215.04 |
| Density | 1,689 g/cm3 |
| Melting Point | 77-81 °C (lit.) |
| Boling Point | 252.95°C (rough estimate) |
| Flash Point | 112.4°C |
| Water Solubility | Insoluble in water. |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Vapor Presure | 0.0111mmHg at 25°C |
| Appearance | White crystal |
| Color | White |
| Merck | 14,1408 |
| BRN | 2045132 |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.5500 (estimate) |
| MDL | MFCD00013531 |
Methyl 4-bromobenzoate - 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. S24/25 - Avoid contact with skin and eyes. |
| WGK Germany | 3 |
| TSCA | Yes |
| HS Code | 29163990 |
Methyl 4-bromobenzoate - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Application | p-bromobenzoic acid methyl ester is also called 4-bromobenzoic acid methyl ester, it has been reported that it can be used to prepare pharmaceutical intermediates such as 4-(4-Methyl phenyl) butyraldehyde, cefaclor A and pemetrexed acid. |
| preparation | a 25 mL reaction flask was filled with a magnet and 1 mmol of 1-bromo-4-(methoxymethyl) benzene (214 mg),15 mg20 mol% AgI/BiVO4 composite and 2 mL water, equipped with an oxygen sphere of 28 cm diameter, equipped with a 16 W white light at the right side of the reaction bottle 10cm, the reaction system was reacted for 15 h under the irradiation of 16 W white light, and the reaction solution was extracted, after combining the organic layers, the mixture was washed three times with saturated brine, dried with anhydrous sodium sulfate, and desolvated under reduced pressure. The residue was treated by column chromatography (ethyl acetate/petroleum ether = 1:10) to obtain methyl p-bromobenzoate, the yield was 88% (188.7 mg). |
Last Update：2024-04-09 02:00:10
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