Cas no 3958-03-0 (Tetrabromothiophene)
Tetrabromothiophene Chemical and Physical Properties
Names and Identifiers
-
- Perbromothiophene
- Tetrabromothiophene
- 2,3,4,5-Tetrabromothiophene
- Thiophene, tetrabromo-
- 2,3,4,5-Tetrabromo-thiophene
- AVPWUAFYDNQGNZ-UHFFFAOYSA-N
- tetrabromthiophen
- C4Br4S
- PubChem7661
- 2,4,5-Tetrabromothiophene
- NCIOpen2_008235
- KSC491I3P
- NSC65427
- OR5778
- Thiophene, tetrabromo- (8CI)(9CI)
- Tetrabromothiophene, 99%
- EINECS 223-554-7
- NS00030615
- AKOS000282033
- Thiophene, 2,3,4,5-tetrabromo-
- AS-17329
- EN300-85067
- A6618
- Tetrabromothiophene, Vetec(TM) reagent grade, 98%
- NSC-65427
- SCHEMBL1156713
- DTXSID40192695
- CS-M0597
- AC-4924
- T1149
- AC-907/25014010
- W-106420
- AMY23395
- Tetrabromothiophene, ReagentPlus(R), 99%
- MFCD00005419
- SY048462
- NSC 65427
- FT-0635073
- CHEMBL87453
- 3958-03-0
- Thiophene, tetrabromo-(8CI)(9CI)
- Thiophene, tetrabromo-(8CI)
- DB-019638
- DTXCID80115186
-
- MDL: MFCD00005419
- Inchi: 1S/C4Br4S/c5-1-2(6)4(8)9-3(1)7
- InChI Key: AVPWUAFYDNQGNZ-UHFFFAOYSA-N
- SMILES: BrC1=C(SC(=C1Br)Br)Br
- BRN: 383664
Computed Properties
- Exact Mass: 395.64500
- Monoisotopic Mass: 395.645
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 96.7
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 5
- Topological Polar Surface Area: 28.2
Experimental Properties
- Color/Form: Brown crystalline powder
- Density: 2.836 (estimate)
- Melting Point: 116-118?°C (lit.)
- Boiling Point: 326?°C(lit.)
- Flash Point: 324-327°C
- Refractive Index: 1.697
- Water Partition Coefficient: Insoluble in water. Soluble in organic solvents.
- PSA: 28.24000
- LogP: 4.79810
Tetrabromothiophene Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H315-H319
- Warning Statement: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: R36/37/38
- Safety Instruction: S24/25
-
Hazardous Material Identification:
- HazardClass:LIGHT SENSITIVE
- Storage Condition:Store at room temperature
- Risk Phrases:R36/37/38
- Safety Term:S24/25
Tetrabromothiophene Customs Data
- HS CODE:2934999090
- Customs Data:
China Customs Code:
2934999090Overview:
2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
Tetrabromothiophene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | T1149-25G |
Tetrabromothiophene |
3958-03-0 | >99.0%(GC) | 25g |
¥180.00 | 2024-04-16 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | T101361-10g |
Tetrabromothiophene |
3958-03-0 | 99% | 10g |
¥139.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | T101361-100g |
Tetrabromothiophene |
3958-03-0 | 99% | 100g |
¥789.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | T101361-25g |
Tetrabromothiophene |
3958-03-0 | 99% | 25g |
¥279.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | T101361-50g |
Tetrabromothiophene |
3958-03-0 | 99% | 50g |
¥469.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | T101361-500g |
Tetrabromothiophene |
3958-03-0 | 99% | 500g |
¥2749.90 | 2023-09-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | T101361-5g |
Tetrabromothiophene |
3958-03-0 | 99% | 5g |
¥89.90 | 2023-09-01 | |
| Alichem | A169004440-250g |
Perbromothiophene |
3958-03-0 | 98% | 250g |
$183.12 | 2023-09-02 | |
| Alichem | A169004440-500g |
Perbromothiophene |
3958-03-0 | 98% | 500g |
$264.00 | 2023-09-02 | |
| Alichem | A169004440-1000g |
Perbromothiophene |
3958-03-0 | 98% | 1000g |
$445.20 | 2023-09-02 |
Tetrabromothiophene Suppliers
Tetrabromothiophene Related Literature
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1. Synthesis of thieno-[2,3-b]-, -[3,2-b]- and -[3,4-b]-thiophenes and thieno-[3′,2′:4,5]-, -[2′,3′:4,5]- and -[3′,4′:4,5]-thieno[3,2-d]pyrimidin-7(6H)-ones starting from thiopheneDavid W. Hawkins,Brian Iddon,Darren S. Longthorne,Peter J. Rosyk J. Chem. Soc. Perkin Trans. 1 1994 2735
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Tran Quang Hung,Tuan Thanh Dang,Alexander Villinger,Tran Van Sung,Peter Langer Org. Biomol. Chem. 2012 10 9041
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Ling-Xiang Guo,Yi-Bo Xing,Meng Wang,Ying Sun,Xue-Qin Zhang,Bao-Ping Lin,Hong Yang J. Mater. Chem. C 2019 7 4828
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Khaled Youssef,Magali Allain,Thomas Cauchy,Frédéric Gohier New J. Chem. 2023 47 7375
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Joshua Almond-Thynne,David C. Blakemore,David C. Pryde,Alan C. Spivey Chem. Sci. 2017 8 40
Additional information on Tetrabromothiophene
Introduction to Tetrabromothiophene (CAS No. 3958-03-0)
Tetrabromothiophene, with the chemical formula C?H?Br?S, is a brominated derivative of thiophene, a heterocyclic compound consisting of a benzene-like ring with a sulfur atom replacing one of the carbon atoms. This compound has garnered significant attention in the field of organic chemistry and materials science due to its unique structural and electronic properties. The presence of multiple bromine atoms introduces rigidity and tunable electronic characteristics, making it a valuable building block for various applications.
The CAS number 3958-03-0 uniquely identifies this compound in scientific literature and industrial databases, ensuring precise classification and communication among researchers and manufacturers. Tetrabromothiophene is primarily utilized as an intermediate in the synthesis of advanced materials, particularly in the development of organic semiconductors, liquid crystal displays (LCDs), and organic light-emitting diodes (OLEDs). Its brominated structure enhances thermal stability and chemical resistance, which are critical for high-performance electronic devices.
Recent advancements in the field have highlighted the role of Tetrabromothiophene in the design of novel photovoltaic materials. Researchers have demonstrated its efficacy in creating efficient bulk heterojunction solar cells by serving as a host material for conjugated polymers. The bromine substituents facilitate better intermolecular packing, leading to improved charge transport properties and higher power conversion efficiencies. This aligns with global efforts to develop sustainable and cost-effective renewable energy solutions.
In addition to its applications in optoelectronics, Tetrabromothiophene has been explored for its potential in pharmaceutical research. The thiophene core is a common motif in bioactive molecules, and modifications with bromine atoms can enhance binding affinity to biological targets. Studies have shown that derivatives of Tetrabromothiophene exhibit promising antimicrobial and anti-inflammatory properties, although further research is needed to fully elucidate their mechanisms of action.
The synthesis of Tetrabromothiophene typically involves the bromination of thiophene using brominating agents such as N-bromosuccinimide (NBS) or molecular bromine (Br?) under controlled conditions. The reaction is often carried out in an inert solvent like carbon tetrachloride or dichloromethane, with careful monitoring to avoid over-bromination. Advances in catalytic methods have also enabled more efficient and selective bromination processes, reducing byproduct formation and improving yield.
From an industrial perspective, the demand for Tetrabromothiophene is driven by its versatility in material science applications. Its ability to be functionalized further allows for the creation of tailored compounds with specific properties. For instance, introducing additional substituents can modify its solubility, melting point, and electronic characteristics, making it suitable for diverse technological platforms.
The environmental impact of using brominated compounds like Tetrabromothiophene is a topic of ongoing discussion. While brominated derivatives offer numerous advantages in material performance, their persistence in the environment raises concerns about long-term ecological effects. Regulatory agencies require thorough assessment of such compounds to ensure they are used responsibly. Efforts are underway to develop greener synthetic routes that minimize environmental footprint while maintaining high product quality.
Future research directions for Tetrabromothiophene include exploring its potential in flexible electronics and wearable technologies. The compound's ability to form stable films and its compatibility with existing fabrication techniques make it a candidate for next-generation electronic components. Moreover, investigations into its behavior under different environmental conditions will provide insights into long-term reliability and durability.
In conclusion, Tetrabromothiophene (CAS No. 3958-03-0) is a multifaceted compound with significant applications across multiple industries. Its unique structural features enable diverse functionalities, from enhancing electronic device performance to serving as a precursor for pharmaceuticals. As research continues to uncover new possibilities, this compound is poised to play an increasingly important role in technological innovation.
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