Cas no 860369-93-3 (4-Pyridinecarboxylicacid, 2-bromo-, methyl ester, 1-oxide)
860369-93-3 structure
Product Name:4-Pyridinecarboxylicacid, 2-bromo-, methyl ester, 1-oxide
CAS No:860369-93-3
MF:C7H6BrNO3
MW:232.0314412117
CID:718157
PubChem ID:57354841
Update Time:2025-04-19
4-Pyridinecarboxylicacid, 2-bromo-, methyl ester, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyridinecarboxylicacid, 2-bromo-, methyl ester, 1-oxide
- methyl 2-bromo-1-oxidopyridin-1-ium-4-carboxylate
- Methyl 2-bromo-isonicotinate-1-oxide
- METHYL 2-BROMOISONICOTINATE-1-OXIDE
- J-400989
- Methyl 2-bromo-1-oxo-1lambda~5~-pyridine-4-carboxylate
- DTXSID50722745
- 860369-93-3
-
- Inchi： 1S/C7H6BrNO3/c1-12-7(10)5-2-3-9(11)6(8)4-5/h2-4H,1H3
- InChI Key： WNAJRKCRUUMYMH-UHFFFAOYSA-N
- SMILES： BrC1C=C(C(=O)OC)C=C[N+]=1[O-]
Computed Properties
- Exact Mass: 230.95311g/mol
- Monoisotopic Mass: 230.95311g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 176
- 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: 0.7
- Topological Polar Surface Area: 51.8?2
Experimental Properties
- Density: 1.65
- Boiling Point: 392.6°C at 760 mmHg
- Flash Point: 191.3°C
- Refractive Index: 1.58
4-Pyridinecarboxylicacid, 2-bromo-, methyl ester, 1-oxide Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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