HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,3,4-Tribromothiophene
Tribromothiophene · BUTTPARK 29\09-41 · SALOR-INT L132055-1EA · 2,3,4-TRIBROMOTHIOPHENE · Acenocoumarol Impurity 18 · Thiophene, 2,3,4-tribromo- · 2,3,4-Tribromothiophene,97% · 2,3,4-TRIBROMOTHIOPHENE 95%
Identifiers & Physical Properties
| CAS No. | 3141-25-1 |
|---|---|
| Molecular formula | C4HBr3S |
| Average molar mass | 320.83 g/mol |
| Monoisotopic mass | 317.73490733 g/mol |
| SMILES | Brc1csc(Br)c1Br |
| InChIKey | ZDXQFDMBZUQHOM-UHFFFAOYSA-N |
| PubChem CID | 76593 |
| EC No. | 221-545-2 |
| DTXSID | DTXSID90185335 |
Chemical & Physical Properties
| XLogP | 4 |
|---|---|
| Topological polar surface area | 28.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 8 |
| Formal charge | 0 |
| Complexity | 87.4 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Melting point | 43-45°C |
| Boiling point | 150-152°C 20mm |
| Density | 2.516±0.06 g/cm3(Predicted) |
| Flash point | 150-152°C/20mm |
| Storage conditions | under inert gas (nitrogen or Argon) at 2–8 °C |
| Appearance | White to off-white Solid |
| BRN | 111770 |
| CAS DataBase Reference | 3141-25-1(CAS DataBase Reference) |
| NIST Chemistry Reference | 2,3,4-Tribromothiophene(3141-25-1) |
| GHS pictogram | GHS07 |
| Signal word | Danger |
| GHS hazard statements | H302-H312-H332 |
| GHS precautionary statements | P261-P280h-P301+P312a-P304+P340-P321-P501a |
| Hazard symbols | Xi |
| Risk statements (R) | 20/21/22 |
| Safety statements (S) | 22-36/37 |
| UN transport number | 2811 |
| Hazard Note | Irritant |
| Hazard class | 6.1 |
| Packing group | III |
| Customs code | 2934999090 |
Safety & Regulations
| GHS classification | WarningH315 (97.4%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (97.4%) |
| UN transport number | 2811 |
| Customs code | 2934999090 |
| Risk statements (R) | 20/21/22 |
| Signal word | Danger |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| hazard_note | Irritant |
| Safety statements (S) | 22-36/37 |
| Hazard class | 6.1 |
| Packing group | III |
| GHS hazard statements | H302-H312-H332 |
| GHS precautionary statements | P261-P280h-P301+P312a-P304+P340-P321-P501a |
Applications & Uses
Uses
2,3,4-Tribromothiophene (CAS# 3141-25-1) can be used in various applications in synthesis of thiophene-fused dinapthopentaphene. It can also be used for synergy in electrocatalysis, for instance, electrocatalytic reduction on gold and silver electrodes.