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| IUPAC Name: | ethyl 2-bromobenzoate |
| Description: | Ethyl 2-bromobenzoate (CAS# 6091-64-1) is an intermediate of 7H-Benzo[c]fluorene, which is a polycyclic aomatic hydrocarbon (PAH) with mutagenic activity. 7H-Benzo[c]fluorene is a major DNA adduct-forming component of coal tar. Recent studies suggest that 7H-Benzo[c]fluorene may be capable of inducing lung tumors. |
| Molecular Weight: | 229.07 |
| Molecular Formula: | C9H9BrO2 |
| Canonical SMILES: | CCOC(=O)C1=CC=CC=C1Br |
| InChI: | InChI=1S/C9H9BrO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3 |
| InChI Key: | BIHHBTVQFPVSTE-UHFFFAOYSA-N |
| Boiling Point: | 117 °C (17 mmHg) |
| Density: | 1.443 g/cm3 |
| Appearance: | Colorless to yellow liquid |
| MDL: | MFCD00015443 |
| LogP: | 2.62580 |
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