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| IUPAC Name: | 2-bromoacetonitrile |
| Description: | Bromoacetonitrile (CAS# 590-17-0) is a water disinfectant byproduct. 2-Bromoacetonitrile has been found to show mutagenic activity on Salmonella typhimurium strain TA100. |
| Molecular Weight: | 119.95 |
| Molecular Formula: | C2H2BrN |
| Canonical SMILES: | C(C#N)Br |
| InChI: | InChI=1S/C2H2BrN/c3-1-2-4/h1H2 |
| InChI Key: | REXUYBKPWIPONM-UHFFFAOYSA-N |
| Boiling Point: | 150 ℃ |
| Flash Point: | greater than 200 °F |
| Purity: | 99 % |
| Density: | 1.722 g/cm3 |
| Solubility: | 50 to 100 mg/mL at 70.7 °F |
| Appearance: | Pale yellow to light amber liquid. |
| Decomposition: | When heated to decomposition it emits toxic vapors of /oxides of nitrogen and bromines |
| MDL: | MFCD00001884 |
| LogP: | 0.90488 |
| Refractive Index: | 1.48 |
| Vapor Pressure: | 24 mm Hg at 60-62 °C |
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2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
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