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| IUPAC Name: | 1-(bromomethyl)-4-methylbenzene |
| Description: | 4-Methylbenzyl bromide (CAS# 104-81-4) is used in the preparation of bis-phosphonium and phosphonium salts as trypanosomicide agents. |
| Molecular Weight: | 185.06 |
| Molecular Formula: | C8H9Br |
| Canonical SMILES: | CC1=CC=C(C=C1)CBr |
| InChI: | InChI=1S/C8H9Br/c1-7-2-4-8(6-9)5-3-7/h2-5H,6H2,1H3 |
| InChI Key: | WZRKSPFYXUXINF-UHFFFAOYSA-N |
| Boiling Point: | 218-220 °C |
| Melting Point: | 33-37 °C |
| Flash Point: | 98 °C (208 °F) - closed cup |
| Purity: | 95 % |
| Density: | 1.324 g/cm3 |
| Solubility: | Insoluble in water |
| Appearance: | White to off white powder |
| Storage: | 2-8 °C |
| Decomposition: | When heated to decomposition it emits toxic fumes of br-. /xylyl bromide/ |
| MDL: | MFCD00000181 |
| LogP: | 2.88990 |
| Stability: | Stable under recommended storage conditions |
| Vapor Pressure: | 0.09 [mmHg] |
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