Cas no 18791-99-6 (4-Bromothiophene-2-carbonitrile)
4-Bromothiophene-2-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-Bromothiophene-2-carbonitrile
- 4-Bromo-2-cyanothiophene
- 2-Thiophenecarbonitrile,4-bromo-
- 4-bromo-2-thiophenecarbonitrile
- 2-THIOPHENECARBONITRILE,4-BROMO
- 3-bromo-5-cyanothiophene
- 4-bromo-thiophene-2-carbonitrile
- 2-THIOPHENECARBONITRILE, 4-BROMO-
- DJYVXBJLHPKUKS-UHFFFAOYSA-N
- 4-bromo-2-cyanothiophen
- 4-bromo-2-thiophene carbonitrile
- 4-bromo -2-thiophenecarbonitrile
- SBB018975
- STK694440
- VT20281
- PB27427
- 4-Bromothiophene-2-carbonitrile98%
- 4-Bromothiophene-2-carbonitrile 98%
- AMY4783
- 18791-99-6
- B4212
- A880552
- SCHEMBL1492367
- 4-bromothiophene-2-carbonitrile, AldrichCPR
- P10075
- EN300-49667
- AKOS005606239
- CS-0053899
- SY050901
- FT-0678174
- DTXSID90558540
- FS-2336
- Z381355288
- MFCD00114951
- XH0595
-
- MDL: MFCD00114951
- Inchi: 1S/C5H2BrNS/c6-4-1-5(2-7)8-3-4/h1,3H
- InChI Key: DJYVXBJLHPKUKS-UHFFFAOYSA-N
- SMILES: BrC1=CSC(C#N)=C1
Computed Properties
- Exact Mass: 186.90900
- Monoisotopic Mass: 186.90913g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 128
- 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
- Topological Polar Surface Area: 52
- XLogP3: 2.3
Experimental Properties
- Density: 1.82
- Melting Point: 47.0 to 51.0 deg-C
- Boiling Point: 230.4℃ at 760 mmHg
- Flash Point: °C
- Refractive Index: 1.642
- PSA: 52.03000
- LogP: 2.38228
4-Bromothiophene-2-carbonitrile Security Information
-
Symbol:
- Prompt:warning
- Hazard Statement: H302+H312+H332-H315-H319
- Warning Statement: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
- Hazard Category Code: 22-37/38-41
- Safety Instruction: 26-39
-
Hazardous Material Identification:
- HazardClass:IRRITANT
4-Bromothiophene-2-carbonitrile 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%
4-Bromothiophene-2-carbonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 043667-1g |
4-Bromo-2-cyanothiophene |
18791-99-6 | 95% | 1g |
£16.00 | 2022-03-01 | |
| Fluorochem | 043667-5g |
4-Bromo-2-cyanothiophene |
18791-99-6 | 95% | 5g |
£44.00 | 2022-03-01 | |
| Fluorochem | 043667-25g |
4-Bromo-2-cyanothiophene |
18791-99-6 | 95% | 25g |
£188.00 | 2022-03-01 | |
| Fluorochem | 043667-100g |
4-Bromo-2-cyanothiophene |
18791-99-6 | 95% | 100g |
£483.00 | 2022-03-01 | |
| Chemenu | CM199565-100g |
4-Bromothiophene-2-carbonitrile |
18791-99-6 | 98% | 100g |
$396 | 2021-08-05 | |
| Chemenu | CM199565-500g |
4-Bromothiophene-2-carbonitrile |
18791-99-6 | 98% | 500g |
$1332 | 2021-08-05 | |
| Chemenu | CM199565-1000g |
4-Bromothiophene-2-carbonitrile |
18791-99-6 | 98% | 1000g |
$2221 | 2021-08-05 | |
| Chemenu | CM199565-100g |
4-Bromothiophene-2-carbonitrile |
18791-99-6 | 98% | 100g |
$533 | 2023-01-19 | |
| Chemenu | CM199565-500g |
4-Bromothiophene-2-carbonitrile |
18791-99-6 | 98% | 500g |
$2561 | 2023-01-19 | |
| Chemenu | CM199565-1000g |
4-Bromothiophene-2-carbonitrile |
18791-99-6 | 98% | 1000g |
$2221 | 2022-09-01 |
4-Bromothiophene-2-carbonitrile Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
Additional information on 4-Bromothiophene-2-carbonitrile
Comprehensive Guide to 4-Bromothiophene-2-carbonitrile (CAS No. 18791-99-6): Properties, Applications, and Industry Insights
4-Bromothiophene-2-carbonitrile (CAS No. 18791-99-6) is a high-value heterocyclic compound widely used in pharmaceuticals, agrochemicals, and material science. Its molecular structure combines a bromothiophene core with a carbonitrile functional group, making it a versatile intermediate for cross-coupling reactions and polymer synthesis. This article explores its chemical properties, synthetic routes, and emerging applications while addressing trending queries like "sustainable synthesis of bromothiophene derivatives" and "role of nitriles in drug discovery."
The compound's CAS number 18791-99-6 is critical for regulatory compliance and supply chain tracking. Recent studies highlight its utility in OLED materials due to its electron-withdrawing cyanogroup, aligning with industry demands for energy-efficient displays. Researchers also investigate its potential in photoredox catalysis, a hot topic in green chemistry forums. Analytical data shows a melting point of 89-92°C and stability under inert atmospheres, making it suitable for high-temperature reactions.
Innovative applications include its use as a precursor for thiophene-based conductive polymers, addressing searches for "organic semiconductors." The bromo-substitution allows precise functionalization via Suzuki-Miyaura coupling, a technique frequently searched by synthetic chemists. Environmental considerations are addressed through modern solvent-free synthesis methods, reducing waste generation—a key concern in EPA-compliant manufacturing.
Market trends indicate growing demand for 4-Bromothiophene-2-carbonitrile in lithium-ion battery additives, correlating with electric vehicle industry growth. Its crystallinity and purity (>98%) make it ideal for X-ray diffraction studies, another frequently searched application. Storage recommendations emphasize protection from moisture to prevent hydrolysis of the nitrile group, a common query among laboratory technicians.
For quality assurance, advanced techniques like HPLC-MS analysis verify batch consistency. The compound's electrophilic aromatic substitution reactivity answers numerous forum questions about thiophene derivatization strategies. Recent patents describe its incorporation into biodegradable sensors, tapping into the wearable technology trend. Always consult SDS documentation for proper handling protocols.
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