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| | DIMETHYL 5-BROMOISOPHTHALATE Basic information |
| Product Name: | DIMETHYL 5-BROMOISOPHTHALATE | | Synonyms: | DiMethyl 5-broMoisophthalateALATE;Dimethyl 5-bromoisophthalate >=98.0% (GC);DIMETHYL 5-BROMOBENZENE-1,3-DICARBOXYLATE;DIMETHYL 5-BROMOISOPHTHALATE;5-BROMOISOPHTHALIC ACID DIMETHYL ESTER;3-benzenedicarboxylicacid,5-bromo-dimethylester;DIMETHYL 5-BROMOISOPHTHALAT;5-Bromo-1,3-benzenedicarboxylic acid dimethyl ester | | CAS: | 51760-21-5 | | MF: | C10H9BrO4 | | MW: | 273.08 | | EINECS: | 257-386-0 | | Product Categories: | | | Mol File: | 51760-21-5.mol |  |
| | DIMETHYL 5-BROMOISOPHTHALATE Chemical Properties |
| Melting point | 85-89 °C | | Boiling point | 150 °C | | density | 1.505±0.06 g/cm3(Predicted) | | Fp | 100 °C | | storage temp. | Inert atmosphere,Room Temperature | | form | powder to crystal | | color | White to Orange to Green | | Water Solubility | Insoluble in water. | | BRN | 2375428 | | InChI | InChI=1S/C10H9BrO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,1-2H3 | | InChIKey | QUJINGKSNJNXEB-UHFFFAOYSA-N | | SMILES | C1(C(OC)=O)=CC(Br)=CC(C(OC)=O)=C1 | | CAS DataBase Reference | 51760-21-5(CAS DataBase Reference) | | EPA Substance Registry System | Dimethyl 5-bromoisophthalate (51760-21-5) |
| Hazard Codes | T,Xi | | Risk Statements | 25 | | Safety Statements | 45 | | RIDADR | UN 2811 6.1/PG 3 | | WGK Germany | 3 | | TSCA | TSCA listed | | HazardClass | IRRITANT | | PackingGroup | Ⅲ | | HS Code | 29173910 | | Storage Class | 6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | | Hazard Classifications | Acute Tox. 3 Oral |
| | DIMETHYL 5-BROMOISOPHTHALATE Usage And Synthesis |
| Chemical Properties | White to beige to light yellow solid | | Uses | Dimethyl 5-bromoisophthalate is used as pharmaceutical intermediate. | | Synthesis | [Preparation of dimethyl 5-bromoisophthalate from 5-bromoisophthalic acid] To a 500 mL three-necked flask equipped with a mechanical stirrer and a Dimroth condenser, 110 g (0.45 mol) of 5-bromoisophthalic acid, 500 mL of anhydrous methanol, and 10 g of concentrated sulfuric acid were added sequentially. The reaction mixture was heated under reflux conditions with stirring for 6 hours. Upon completion of the reaction, the mixture was left to cool to room temperature, followed by slow dropwise addition to 1 L of distilled water. The mixture was centrifuged with 5 wt% aqueous sodium bicarbonate solution to pH 7-8. The precipitated white precipitate was collected by filtration and washed with 2 L of distilled water in two portions. The resulting white solid was placed in a vacuum drying oven and dried under reduced pressure at 50 °C for 48 h to give 109 g (0.4 mol) of dimethyl 5-bromoisophthalate in 89% yield. | | References | [1] Patent: EP1346975, 2003, A1
[2] Patent: WO2014/20350, 2014, A1
[3] Patent: WO2014/20351, 2014, A1 |
| | DIMETHYL 5-BROMOISOPHTHALATE Preparation Products And Raw materials |
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