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| IUPAC Name: | methyl 4-bromobenzoate |
| Description: | Methyl 4-bromobenzoate (CAS# 619-42-1) is halogenated benzoate used as a reagent in organic synthesis. 4-Bromobenzoic Acid Methyl Ester can be used to stimulate microbial dechlorination of PCBs. 4-Bromobenzoic Acid Methyl Ester is also used in the preparation of stable radioiodinating reagent to label monoclonal antibodies for radiotherapy of cancer. |
| Molecular Weight: | 215.04 |
| Molecular Formula: | C8H7BrO2 |
| Canonical SMILES: | COC(=O)C1=CC=C(C=C1)Br |
| InChI: | InChI=1S/C8H7BrO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3 |
| InChI Key: | CZNGTXVOZOWWKM-UHFFFAOYSA-N |
| Boiling Point: | 262.2 °C at 760 mmHg |
| Purity: | 98 % |
| Density: | 1.689 g/cm3 |
| Appearance: | White crystals or crystalline powder |
| MDL: | MFCD00013531 |
| LogP: | 2.23570 |
| Vapor Pressure: | 0.02 [mmHg] |
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1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
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