Cas no 668276-48-0 (Isoquinoline, 3-(difluoromethyl)-1-methyl-)
668276-48-0 structure
Product Name:Isoquinoline, 3-(difluoromethyl)-1-methyl-
CAS No:668276-48-0
MF:C11H9F2N
MW:193.192669630051
CID:1712951
Update Time:2024-08-31
Isoquinoline, 3-(difluoromethyl)-1-methyl- Chemical and Physical Properties
Names and Identifiers
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- Isoquinoline, 3-(difluoromethyl)-1-methyl-
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- Inchi： 1S/C11H9F2N/c1-7-9-5-3-2-4-8(9)6-10(14-7)11(12)13/h2-6,11H,1H3
- InChI Key： BDIJQEMFCZGEEB-UHFFFAOYSA-N
- SMILES： C1(C)C2=C(C=CC=C2)C=C(C(F)F)N=1
Computed Properties
- Exact Mass: 193.07037
Experimental Properties
- Density: 1.199±0.06 g/cm3(Predicted)
- Boiling Point: 272.4±35.0 °C(Predicted)
- PSA: 12.89
- pka: 3.58±0.50(Predicted)
Isoquinoline, 3-(difluoromethyl)-1-methyl- Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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