HuagongsheHuagongshe Chemistry Print Report · For research reference only
3,3'-Dibromo-2,2'-bithiophene
3,3'-Dibromo-2,2'-dithiophene · Na ≥2TH-2Bra · -bithiophenyl · 5-Triiodo-β-Bi-p-anisidine · -Oxy-venetoclax · -Dicyanobiphenyl · -Diformylbiphenyl · -Dibromodiphenyl-d8
Identifiers & Physical Properties
| CAS No. | 51751-44-1 |
|---|---|
| Molecular formula | C8H4Br2S2 |
| Average molar mass | 324.1 g/mol |
| Monoisotopic mass | 321.81211633 g/mol |
| SMILES | Brc1ccsc1-c1sccc1Br |
| InChIKey | KBRZCEVRNLKHAZ-UHFFFAOYSA-N |
| PubChem CID | 819087 |
| EC No. | 663-413-0 |
| DTXSID | DTXSID50356044 |
Chemical & Physical Properties
| XLogP | 4.4 |
|---|---|
| Topological polar surface area | 56.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 147 |
| Melting point | 103°C |
| Boiling point | 318.6±37.0 °C(Predicted) |
| Density | 1.951±0.06 g/cm3(Predicted) |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Solubility | soluble in Toluene |
| Physical state | powder |
| Color | White to Yellow to Orange |
| InChI | InChI=1S/C8H4Br2S2/c9-5-1-3-11-7(5)8-6(10)2-4-12-8/h1-4H |
| InChIKey | KBRZCEVRNLKHAZ-UHFFFAOYSA-N |
| SMILES | C1(C2SC=CC=2Br)SC=CC=1Br |
| UNSPSC Code | 12352103 |
| NACRES | NA.23 |
| GHS pictogram | GHS05,GHS06 |
| Signal word | Danger |
| GHS hazard statements | H301-H318 |
| GHS precautionary statements | P280-P301+P310+P330-P305+P351+P338+P310 |
| Hazard symbols | T |
| Risk statements (R) | 25-41 |
| Safety statements (S) | 26-39 |
| UN transport number | 2811 |
| Water hazard class (WGK) | 3 |
| Hazard class | IRRITANTAcute Tox. 3 OralEye Dam. 1 |
| Packing group | Ⅲ |
| Customs code | 29339900 |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Safety & Regulations
| GHS classification | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| Water hazard class (WGK) | 3 |
| UN transport number | 2811 |
| Customs code | 29339900 |
| Risk statements (R) | 25-41 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS06 |
| Hazard symbols | T |
| Safety statements (S) | 26-39 |
| Hazard class | IRRITANTAcute Tox. 3 OralEye Dam. 1 |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Packing group | Ⅲ |
| GHS hazard statements | H301-H318 |
| GHS precautionary statements | P280-P301+P310+P330-P305+P351+P338+P310 |
Applications & Uses
Uses
3,3’-Dibromo-2,2’-dithiophene is used in the preparation of benzothiadiazole copolymers which direct charge transport in thin-film transistors. Used in the synthesis of solar cells which are dithienopyrrole / anthracene based.
Uses
suzuki reaction
Uses
3,3'-Dibromo-2,2'-dithiophene is used in the preparation of benzothiadiazole copolymers which direct charge transport in thin-film transistors. Used in the synthesis of solar cells which are dithienop yrrole / anthracene based.