Cas no 73863-47-5 (Quinoline,2-chloro-7-methyl-3-phenyl-)
73863-47-5 structure
Product Name:Quinoline,2-chloro-7-methyl-3-phenyl-
CAS No:73863-47-5
MF:C16H12ClN
MW:253.726182937622
CID:554829
PubChem ID:4256079
Update Time:2025-04-19
Quinoline,2-chloro-7-methyl-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Quinoline,2-chloro-7-methyl-3-phenyl-
- 2-CHLORO-7-METHYL-3-PHENYLQUINOLINE
- 2-chloro-7-methyl-3-phenyl-quinoline
- Quinoline,2-chloro-7-methyl-3-phenyl
- FT-0611894
- DTXSID80401298
- MFCD02179795
- AKOS000320103
- SCHEMBL15374649
- 73863-47-5
-
- Inchi： 1S/C16H12ClN/c1-11-7-8-13-10-14(12-5-3-2-4-6-12)16(17)18-15(13)9-11/h2-10H,1H3
- InChI Key： UXEPEEALYXYHAE-UHFFFAOYSA-N
- SMILES： ClC1=C(C2C=CC=CC=2)C=C2C=CC(C)=CC2=N1
Computed Properties
- Exact Mass: 253.06600
- Monoisotopic Mass: 253.066
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 274
- 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: 5.1
Experimental Properties
- Density: 1.206
- Boiling Point: 380.6°C at 760 mmHg
- Flash Point: 215.9°C
- Refractive Index: 1.647
- PSA: 12.89000
- LogP: 4.86360
Quinoline,2-chloro-7-methyl-3-phenyl- Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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