HuagongsheHuagongshe Chemistry Print Report · For research reference only
Tetrabromothiophene
PERBROMOTHIOPHENE · S0506 · TH-4Br · AKOS 93380 · Tetrabromthiophen · TETRABROMOTHIOPHENE · Tetrabromothiophene3 · Thiophene, tetrabromo-
Identifiers & Physical Properties
| CAS No. | 3958-03-0 |
|---|---|
| Molecular formula | C4Br4S |
| Average molar mass | 399.73 g/mol |
| Monoisotopic mass | 395.6454194 g/mol |
| SMILES | Brc1sc(Br)c(Br)c1Br |
| InChIKey | AVPWUAFYDNQGNZ-UHFFFAOYSA-N |
| PubChem CID | 77565 |
| ChEMBL | CHEMBL87453 |
| EC No. | 223-554-7 |
| DTXSID | DTXSID40192695 |
Chemical & Physical Properties
| XLogP | 5 |
|---|---|
| Topological polar surface area | 28.2 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 0 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 96.7 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Melting point | 116-118 °C (lit.) |
| Boiling point | 326 °C (lit.) |
| Density | 2.836 (estimate) |
| Flash point | 324-327°C |
| Storage conditions | Keep in dark place,Sealed in dry,Room Temperature |
| Physical state | Crystalline Powder |
| Color | Cream to brown |
| Solubility | Insoluble in water. Soluble in organic solvents. |
| BRN | 383664 |
| InChI | InChI=1S/C4Br4S/c5-1-2(6)4(8)9-3(1)7 |
| InChIKey | AVPWUAFYDNQGNZ-UHFFFAOYSA-N |
| SMILES | C1(Br)SC(Br)=C(Br)C=1Br |
| CAS DataBase Reference | 3958-03-0(CAS DataBase Reference) |
| NIST Chemistry Reference | Thiophene, tetrabromo-(3958-03-0) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 24/25 |
| Water hazard class (WGK) | 3 |
| Hazard Note | Irritant |
| Hazard class | LIGHT SENSITIVE |
| Customs code | 29349990 |
| Storage class | 13 - Non Combustible Solids |
Safety & Regulations
| GHS classification | WarningH302+H312+H332 (12.5%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Thiophene, tetrabromo-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (25%) |
| Water hazard class (WGK) | 3 |
| Customs code | 29349990 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| hazard_note | Irritant |
| Safety statements (S) | 24/25 |
| Hazard class | LIGHT SENSITIVE |
| Storage class | 13 - Non Combustible Solids |
| GHS hazard statements | H315-H319-H335 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a |
Applications & Uses
Uses
Tetrabromothiophene, holds wide applications in organic electronics and photonics. It is an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.