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| IUPAC Name: | methyl 4-chlorobenzoate |
| Description: | Methyl 4-Chlorobenzoate is a reactant used in the synthesis of ataxia-telangiectasia mutated (ATM) kinase, a target for novel radiosensitizing agents. As well, it is used as a reactant in the synthesis of aminopyridine functionalized polyacrylonitrile fibers. |
| Molecular Weight: | 170.59 |
| Molecular Formula: | C8H7ClO2 |
| Canonical SMILES: | COC(=O)C1=CC=C(C=C1)Cl |
| InChI: | InChI=1S/C8H7ClO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3 |
| InChI Key: | LXNFVVDCCWUUKC-UHFFFAOYSA-N |
| Boiling Point: | 136-137 °C / 10 mmHg |
| Melting Point: | 42-44 °C |
| Flash Point: | 106°C |
| Purity: | > 95 % |
| Density: | 1.38 g/cm3 |
| Appearance: | Off-white low melting solid |
| Storage: | Keep in dark place, Sealed in dry, Room Temperature |
| MDL: | MFCD00000621 |
| LogP: | 2.12660 |
| Refractive Index: | 1.528 |
| Vapor Pressure: | 0.12mmHg at 25°C |
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