Cas no 727429-31-4 (Pyridine,4-chloro-3-methyl-5-phenyl-)
Pyridine,4-chloro-3-methyl-5-phenyl- is a substituted pyridine derivative characterized by a chloro group at the 4-position, a methyl group at the 3-position, and a phenyl ring at the 5-position. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. The chloro and methyl substituents enhance its electrophilic properties, facilitating nucleophilic substitution reactions, while the phenyl group contributes to steric and electronic effects, influencing regioselectivity. Its well-defined molecular framework allows for precise modifications, supporting the development of specialized compounds. The compound is typically handled under controlled conditions due to its reactivity and potential sensitivity to moisture or light.
727429-31-4 structure
Product Name:Pyridine,4-chloro-3-methyl-5-phenyl-
CAS No:727429-31-4
MF:C12H10ClN
MW:203.667501926422
CID:558999
PubChem ID:53426529
Update Time:2025-06-07
Pyridine,4-chloro-3-methyl-5-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Pyridine,4-chloro-3-methyl-5-phenyl-
- 4-Chloro-3-methyl-5-phenylpyridine
- Pyridine,4-chloro-3-methyl-5-phenyl
- 727429-31-4
- DTXSID20699258
- FT-0710345
-
- Inchi： 1S/C12H10ClN/c1-9-7-14-8-11(12(9)13)10-5-3-2-4-6-10/h2-8H,1H3
- InChI Key： JQKGTZJXDNNNTQ-UHFFFAOYSA-N
- SMILES： ClC1C(C)=CN=CC=1C1C=CC=CC=1
Computed Properties
- Exact Mass: 203.05000
- Monoisotopic Mass: 203.05
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 177
- 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
- Topological Polar Surface Area: 12.9A^2
- XLogP3: 3.5
Experimental Properties
- PSA: 12.89000
- LogP: 3.71040
Pyridine,4-chloro-3-methyl-5-phenyl- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A029009811-250mg |
4-Chloro-3-methyl-5-phenylpyridine |
727429-31-4 | 95% | 250mg |
$1038.80 | 2023-09-01 | |
| Alichem | A029009811-1g |
4-Chloro-3-methyl-5-phenylpyridine |
727429-31-4 | 95% | 1g |
$3039.75 | 2023-09-01 |
Pyridine,4-chloro-3-methyl-5-phenyl- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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