Cas no 942612-14-8 (3-bromo-1,5-dimethyl-1H-Pyrrole-2-carbonitrile)
3-Bromo-1,5-dimethyl-1H-pyrrole-2-carbonitrile is a brominated pyrrole derivative featuring a cyano functional group at the 2-position. This compound serves as a versatile intermediate in organic synthesis, particularly in the construction of heterocyclic frameworks and pharmaceutical precursors. The bromine substituent enhances reactivity for further functionalization via cross-coupling reactions, while the electron-withdrawing cyano group stabilizes the pyrrole core and influences regioselectivity in subsequent transformations. Its well-defined structure and high purity make it suitable for applications in medicinal chemistry and materials science. The compound’s stability under standard storage conditions ensures consistent performance in synthetic workflows.
942612-14-8 structure
Product Name:3-bromo-1,5-dimethyl-1H-Pyrrole-2-carbonitrile
CAS No:942612-14-8
MF:C7H7BrN2
MW:199.047880411148
CID:1122391
PubChem ID:102084909
Update Time:2025-05-28
3-bromo-1,5-dimethyl-1H-Pyrrole-2-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-bromo-1,5-dimethyl-1H-Pyrrole-2-carbonitrile
- 942612-14-8
- CS-0458885
-
- Inchi: 1S/C7H7BrN2/c1-5-3-6(8)7(4-9)10(5)2/h3H,1-2H3
- InChI Key: RQDNTEQSLSUUEU-UHFFFAOYSA-N
- SMILES: BrC1C=C(C)N(C)C=1C#N
Computed Properties
- Exact Mass: 197.97926g/mol
- Monoisotopic Mass: 197.97926g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 172
- 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: 1.8
- Topological Polar Surface Area: 28.7?2
3-bromo-1,5-dimethyl-1H-Pyrrole-2-carbonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Apollo Scientific | OR956691-1g |
3-Bromo-1,5-dimethyl-1H-pyrrole-2-carbonitrile |
942612-14-8 | 95% | 1g |
£435.00 | 2025-02-21 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1529552-1g |
3-Bromo-1,5-dimethyl-1H-pyrrole-2-carbonitrile |
942612-14-8 | 98% | 1g |
¥5201.00 | 2024-04-24 |
3-bromo-1,5-dimethyl-1H-Pyrrole-2-carbonitrile Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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