HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Bromo-5-methylthiophene
Thiophene, 2-bromo-5-methyl- · 2-Bromo-5-methylthio · bromomethylthiophene · 2-BROMO-5-METHYLTHIOPHENE · 5-Methyl-2-bromothiophene · 5-Bromo-2-methylthiophene · 2-BROMO-5-METHYLTHIOPHENOL · 2-BROMO-5-METHYLTHIOPHENE,96%
Identifiers & Physical Properties
| CAS No. | 765-58-2 |
|---|---|
| Molecular formula | C5H5BrS |
| Average molar mass | 177.06 g/mol |
| Monoisotopic mass | 175.92953 g/mol |
| SMILES | Cc1ccc(Br)s1 |
| InChIKey | ACDLOOGOFKSUPO-UHFFFAOYSA-N |
| PubChem CID | 69831 |
| EC No. | 212-151-1 |
| DTXSID | DTXSID70227308 |
Chemical & Physical Properties
| XLogP | 3 |
|---|---|
| Topological polar surface area | 28.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 7 |
| Formal charge | 0 |
| Complexity | 65 |
| Boiling point | 65 °C/15 mmHg (lit.) |
| Density | 1.552 g/mL at 25 °C (lit.) |
| Refractive index | n20/D 1.569(lit.) |
| Flash point | 173 °F |
| Storage conditions | 2-8°C |
| Physical state | Liquid Which May Contain Some Precipitate |
| Specific gravity | 1.552 |
| Color | Yellow |
| InChI | InChI=1S/C5H5BrS/c1-4-2-3-5(6)7-4/h2-3H,1H3 |
| InChIKey | ACDLOOGOFKSUPO-UHFFFAOYSA-N |
| SMILES | C1(Br)SC(C)=CC=1 |
| CAS DataBase Reference | 765-58-2(CAS DataBase Reference) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H227 |
| GHS precautionary statements | P210-P280-P403+P235-P501 |
| Hazard symbols | Xi |
| Risk statements (R) | 20/21/22-36/37/38-22 |
| Safety statements (S) | 23-36/37/39-37/39-26 |
| Water hazard class (WGK) | 3 |
| Hazard class | IRRITANT |
| Customs code | 29339900 |
| Storage class | 10 - Combustible liquids |
Safety & Regulations
| Water hazard class (WGK) | 3 |
|---|---|
| Customs code | 29339900 |
| Risk statements (R) | 20/21/22-36/37/38-22 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 23-36/37/39-37/39-26 |
| Hazard class | IRRITANT |
| Storage class | 10 - Combustible liquids |
| GHS hazard statements | H227 |
| GHS precautionary statements | P210-P280-P403+P235-P501 |
Applications & Uses
Uses
2-Bromo-5-methylthiophene is a heterocyclic compound that can be used as an intermediate in organic synthesis.