Cas no 1379300-99-8 (2,3-Dibromo-4-chloropyridine)
2,3-Dibromo-4-chloropyridine structure
Product Name:2,3-Dibromo-4-chloropyridine
CAS No:1379300-99-8
MF:C5H2Br2ClN
MW:271.33707857132
CID:5741976
PubChem ID:118817073
Update Time:2023-11-11
2,3-Dibromo-4-chloropyridine Chemical and Physical Properties
Names and Identifiers
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- 1379300-99-8
- 2,3-Dibromo-4-chloropyridine
- Pyridine, 2,3-dibromo-4-chloro-
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- Inchi： 1S/C5H2Br2ClN/c6-4-3(8)1-2-9-5(4)7/h1-2H
- InChI Key： GQHLHJLMDWGXSV-UHFFFAOYSA-N
- SMILES： BrC1C(=NC=CC=1Cl)Br
Computed Properties
- Exact Mass: 270.82220g/mol
- Monoisotopic Mass: 268.82425g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 101
- 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: 3.2
- Topological Polar Surface Area: 12.9?2
Experimental Properties
- Density: 2.136±0.06 g/cm3(Predicted)
- Boiling Point: 274.5±35.0 °C(Predicted)
- pka: -1.31±0.10(Predicted)
2,3-Dibromo-4-chloropyridine 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
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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