Cas no 415718-60-4 (4-(5-Bromothiophen-2-yl)benzonitrile)
4-(5-Bromothiophen-2-yl)benzonitrile is a brominated aromatic compound featuring a thiophene ring linked to a benzonitrile group. This structure makes it a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and functional materials. The bromine substituent enhances reactivity for cross-coupling reactions, such as Suzuki or Stille couplings, enabling precise modifications to the molecular framework. The benzonitrile moiety offers additional versatility for further functionalization. Its well-defined chemical properties and stability under standard conditions ensure reliable performance in research and industrial applications. This compound is particularly useful in constructing complex heterocyclic systems and conjugated materials for optoelectronic applications.
415718-60-4 structure
Product Name:4-(5-Bromothiophen-2-yl)benzonitrile
CAS No:415718-60-4
MF:C11H6BrNS
MW:264.141040325165
MDL:MFCD08166388
CID:326559
PubChem ID:11737137
Update Time:2025-06-06
4-(5-Bromothiophen-2-yl)benzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-(5-Bromothiophen-2-yl)benzonitrile
- Benzonitrile,4-(5-bromo-2-thienyl)-
- 2-bromo-5-(4-cyanophenyl)thiophene
- AG-F-47835
- AGN-PC-00F4S1
- CTK4I4990
- MFCD08166388
- BS-52173
- CS-0369519
- AKOS015900806
- 415718-60-4
- E78497
- DTXSID20471435
- 4-(5-Bromo-2-thienyl)benzonitrile
-
- MDL： MFCD08166388
- Inchi： 1S/C11H6BrNS/c12-11-6-5-10(14-11)9-3-1-8(7-13)2-4-9/h1-6H
- InChI Key： XZVRXWYTEUTNOC-UHFFFAOYSA-N
- SMILES： BrC1=CC=C(C2C=CC(C#N)=CC=2)S1
Computed Properties
- Exact Mass: 262.94000
- Monoisotopic Mass: 262.94043g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 239
- 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
- XLogP3: 4
- Topological Polar Surface Area: 52?2
Experimental Properties
- Density: 1.61
- Boiling Point: 360.7°Cat760mmHg
- Flash Point: 171.9°C
- Refractive Index: 1.682
- PSA: 52.03000
- LogP: 4.04928
4-(5-Bromothiophen-2-yl)benzonitrile 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-(5-Bromothiophen-2-yl)benzonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM153148-5g |
4-(5-Bromothiophen-2-yl)benzonitrile |
415718-60-4 | 95% | 5g |
$777 | 2021-08-05 | |
| Chemenu | CM153148-5g |
4-(5-Bromothiophen-2-yl)benzonitrile |
415718-60-4 | 95% | 5g |
$777 | 2023-01-19 | |
| abcr | AB286531-250 mg |
4-(5-Bromothiophen-2-yl)benzonitrile; . |
415718-60-4 | 250 mg |
€204.10 | 2023-07-20 | ||
| abcr | AB286531-1 g |
4-(5-Bromothiophen-2-yl)benzonitrile; . |
415718-60-4 | 1 g |
€399.30 | 2023-07-20 | ||
| TRC | B078250-50mg |
4-(5-Bromothiophen-2-yl)benzonitrile |
415718-60-4 | 50mg |
$ 224.00 | 2023-04-19 | ||
| TRC | B078250-100mg |
4-(5-Bromothiophen-2-yl)benzonitrile |
415718-60-4 | 100mg |
$ 362.00 | 2023-04-19 | ||
| eNovation Chemicals LLC | D105038-1g |
4-(5-BROMOTHIOPHEN-2-YL)BENZONITRILE |
415718-60-4 | 95% | 1g |
$245 | 2024-08-03 | |
| eNovation Chemicals LLC | D105038-1.8g |
4-(5-BROMOTHIOPHEN-2-YL)BENZONITRILE |
415718-60-4 | 95% | 1.8g |
$385 | 2024-08-03 | |
| eNovation Chemicals LLC | D105038-10g |
4-(5-BROMOTHIOPHEN-2-YL)BENZONITRILE |
415718-60-4 | 95% | 10g |
$1350 | 2024-08-03 | |
| Alichem | A169004212-1g |
4-(5-Bromothiophen-2-yl)benzonitrile |
415718-60-4 | 95% | 1g |
$400.00 | 2023-09-01 |
4-(5-Bromothiophen-2-yl)benzonitrile Related Literature
-
Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
-
David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
-
J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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