Benzenethiol, p-bromo-
4-Bromothiophenol
CAS: 106-53-6
Molecular Formula: C6H5BrS
Benzenethiol, p-bromo- - Names and Identifiers
| Name | 4-Bromothiophenol |
| Synonyms | 4-BROMOTHIOPHENOL 4-Bromothiophenol p-bromothiophenol 4-BROMOBENZENETHIOL 4-Bromobenzenethiol Benzenethiol, p-bromo- 4-bromobenzenethiolate 4-bromobenzene-1-thiol 4-Bromobenzenethiol, 4-Bromophenyl mercaptan |
| CAS | 106-53-6 |
| EINECS | 203-407-3 |
| InChI | InChI=1/C6H5BrS/c7-5-1-3-6(8)4-2-5/h1-4,8H/p-1 |
| InChIKey | FTBCOQFMQSTCQQ-UHFFFAOYSA-N |
Benzenethiol, p-bromo- - Physico-chemical Properties
| Molecular Formula | C6H5BrS |
| Molar Mass | 189.07 |
| Density | 1.5260 |
| Melting Point | 73-76 °C (lit.) |
| Boling Point | 239 °C (lit.) |
| Flash Point | 239°C |
| Water Solubility | Slightly soluble in water |
| Vapor Presure | 0.0954mmHg at 25°C |
| Appearance | Crystals or Crystalline Powder |
| Color | White to beige |
| BRN | 507031 |
| pKa | 6.08±0.10(Predicted) |
| Storage Condition | Inert atmosphere,Room Temperature |
| Sensitive | Air Sensitive |
| Physical and Chemical Properties | White cast. Melting Point 74-76 °c. |
Benzenethiol, p-bromo- - Risk and Safety
| Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| UN IDs | 2923 |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 10-13-23 |
| TSCA | T |
| HS Code | 29309070 |
| Hazard Note | Irritant |
| Hazard Class | 8 |
| Packing Group | III |
Benzenethiol, p-bromo- - Reference Information
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Use | 4-Bromothiophenol is a reagent used to synthesize indole-3-ethylone-α-thioether, used as a non-toxic antimalarial agent. These compounds showed antimalarial activity and were not toxic to the HeLa cell line. |
Last Update：2024-04-09 15:16:46
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