Cas no 1001414-94-3 (4-Bromo-2-(chloromethyl)pyridine hydrochloride)
1001414-94-3 structure
Product Name:4-Bromo-2-(chloromethyl)pyridine hydrochloride
CAS No:1001414-94-3
MF:C6H6BrCl2N
MW:242.928538799286
CID:97667
PubChem ID:53302021
Update Time:2025-04-18
4-Bromo-2-(chloromethyl)pyridine hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- 4-Bromo-2-(chloromethyl)pyridine hydrochloride
- 4-Bromo-2-(chloromethyl)pyridine hydrochloride (1:1)
- Pyridine,4-bromo-2-(chloromethyl)-, hydrochloride (1:1)
- PYRIDINE, 4-BROMO-2-(CHLOROMETHYL)-, HYDROCHLORIDE
- MIAJDYRSLOZVSX-UHFFFAOYSA-N
- AKOS015891911
- 4-bromo-2-(chloromethyl)pyridine;hydrochloride
- SCHEMBL15206448
- 4-bromo-2-(chloromethyl)pyridine HCl
- 1001414-94-3
-
- Inchi： 1S/C6H5BrClN.ClH/c7-5-1-2-9-6(3-5)4-8;/h1-3H,4H2;1H
- InChI Key： MIAJDYRSLOZVSX-UHFFFAOYSA-N
- SMILES： BrC1C=CN=C(CCl)C=1.Cl
Computed Properties
- Exact Mass: 240.906
- Monoisotopic Mass: 240.906
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 89.1
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 12.9A^2
Experimental Properties
- PSA: 12.89000
- LogP: 3.38490
4-Bromo-2-(chloromethyl)pyridine hydrochloride Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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