Cas no 668276-47-9 (Isoquinoline, 1-methyl-3-(trifluoromethyl)-)
668276-47-9 structure
Product Name:Isoquinoline, 1-methyl-3-(trifluoromethyl)-
CAS No:668276-47-9
MF:C11H8F3N
MW:211.183133125305
CID:1712626
Update Time:2024-08-31
Isoquinoline, 1-methyl-3-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
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- Isoquinoline, 1-methyl-3-(trifluoromethyl)-
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- Inchi： 1S/C11H8F3N/c1-7-9-5-3-2-4-8(9)6-10(15-7)11(12,13)14/h2-6H,1H3
- InChI Key： SIWRBWIWLKNUDY-UHFFFAOYSA-N
- SMILES： C1(C)C2=C(C=CC=C2)C=C(C(F)(F)F)N=1
Computed Properties
- Exact Mass: 211.06094
Experimental Properties
- Density: 1.267±0.06 g/cm3(Predicted)
- Boiling Point: 250.3±35.0 °C(Predicted)
- PSA: 12.89
- pka: 2.76±0.50(Predicted)
Isoquinoline, 1-methyl-3-(trifluoromethyl)- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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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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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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