Cas no 112631-54-6 (Isoquinoline, 3-chloro-6,7-dimethyl-)
112631-54-6 structure
Product Name:Isoquinoline, 3-chloro-6,7-dimethyl-
CAS No:112631-54-6
MF:C11H10ClN
MW:191.656801700592
CID:1200180
Update Time:2024-08-05
Isoquinoline, 3-chloro-6,7-dimethyl- Chemical and Physical Properties
Names and Identifiers
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- Isoquinoline, 3-chloro-6,7-dimethyl-
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- Inchi： 1S/C11H10ClN/c1-7-3-9-5-11(12)13-6-10(9)4-8(7)2/h3-6H,1-2H3
- InChI Key： YCLJVEASLCZRAG-UHFFFAOYSA-N
- SMILES： C1C2=C(C=C(C)C(C)=C2)C=C(Cl)N=1
Computed Properties
- Exact Mass: 191.0503
Experimental Properties
- Density: 1.188±0.06 g/cm3(Predicted)
- Melting Point: 114-117 °C
- Boiling Point: 305.0±37.0 °C(Predicted)
- PSA: 12.89
- pka: 2.56±0.40(Predicted)
Isoquinoline, 3-chloro-6,7-dimethyl- Related Literature
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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