m-bromobenzenethiol
m-bromobenzenethiol
CAS: 6320-01-0
Molecular Formula: C6H5BrS
m-bromobenzenethiol - Names and Identifiers
| Name | m-bromobenzenethiol |
| Synonyms | 3-bromothiophenol m-Bromothiophenol 3-BROMOBENZENETHIOL 3-bromobenzenethiol M-BROMOBENZENETHIOL m-bromobenzenethiol 3-Bromophenylmercaptan Benzenethiol, 3-bromo- 3-bromobenzenethiolate |
| CAS | 6320-01-0 |
| EINECS | 228-664-9 |
| InChI | InChI=1/C6H5BrS/c7-5-2-1-3-6(8)4-5/h1-4,8H/p-1 |
| InChIKey | HNGQQUDFJDROPY-UHFFFAOYSA-N |
m-bromobenzenethiol - Physico-chemical Properties
| Molecular Formula | C6H5BrS |
| Molar Mass | 189.07 |
| Density | 1.832 g/mL at 25 °C (lit.) |
| Melting Point | 214-215 °C(Solv: isopropanol (67-63-0)) |
| Boling Point | 123-124 °C/40 mmHg (lit.) |
| Flash Point | 105 °C |
| Vapor Presure | 0.169mmHg at 25°C |
| Appearance | Crystalline Powder |
| Specific Gravity | 1.832 |
| Color | White to light beige |
| BRN | 1926242 |
| pKa | 5.83±0.10(Predicted) |
| Storage Condition | Refrigerator |
| Sensitive | Stench |
| Refractive Index | n20/D 1.634(lit.) |
| Physical and Chemical Properties | Boiling point 123-124 ℃(5.32kPa),119-121 ℃(2.67-2.93kPa), relative density 1.832, refractive index 1.6324, flash point 105 ℃. |
m-bromobenzenethiol - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| 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 | 2811 |
| WGK Germany | 3 |
| FLUKA BRAND F CODES | 10-13-23 |
| HS Code | 29309070 |
| Hazard Note | Irritant/Stench |
| Hazard Class | 8 |
| Packing Group | III |
m-bromobenzenethiol - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| Use | pharmaceutical intermediates. |
| production method | is derived from M-bromoaniline hydrochloride by diazotization and substitution. M-bromoaniline salt and water were added to the reaction pot, and concentrated hydrochloric acid was slowly added dropwise with stirring to dissolve all of them. After cooling to about 0 ℃, sodium nitrite solution was slowly added dropwise, and the mixture was kept for 0.5h to obtain m-bromoaniline diazotization solution for later use. In addition, the aqueous solution of potassium ethyl xanthate was added to the reaction pot, heated to 45-50 ° C., The diazo liquid was slowly added, the addition was completed, and the temperature was maintained for 0.5h. Extract with benzene, extract recovery of benzene, after adding ethanol and potassium hydroxide stirring reflux for 7H, recovery of ethanol to dryness, with 3.6 times the amount of water to dissolve all, with dilute sulfuric acid to adjust the pH to 4, filtration, benzene was extracted with benzene, recovered, and distilled under reduced pressure to collect a 120 ° C. (2.93kPa) fraction to obtain a finished product. |
Last Update：2024-04-09 02:00:10
