Cas no 49866-87-7 (Difenzoquat)
Difenzoquat structure
Product Name:Difenzoquat
CAS No:49866-87-7
MF:C17H17N2
MW:249.330283880234
CID:55782
Update Time:2026-05-14
Difenzoquat Chemical and Physical Properties
Names and Identifiers
-
- Difenzoquat
- 1,2-Dimethyl-3,5-diphenyl-1H-pyrazolium
- 1,2-dimethyl-3,5-diphenylpyrazol-1-ium
- 1,2-dimethyl-3,5-diphenyl-1H-pyrazol-2-ium
- 1,2-dimethyl-3,5-diphenylpyrazolium
- 1,2-Dimethyl-3,5-diphenylpyrazolium ion
- 1H-Pyrazolium,1,2-dimethyl-3,5-diphenyl
- EINECS 256-505-3
- UNII-54NE792QN5
- Difenzoquat [ANSI:BSI:ISO]
- 1H-Pyrazolium, 1,2-dimethyl-3,5-diphenyl-
- 54NE792QN5
- 1H-Pyrazolium, (1,2-dimethyl-3,5-diphenyl)-
- 1,2-dimethyl-3,5-diphenyl-pyrazol-1-ium
- 1H-Pyrazolium, 1,2-dimethyl-3,5-diphenyl- (9CI)
- L
-
- Inchi： 1S/C17H17N2/c1-18-16(14-9-5-3-6-10-14)13-17(19(18)2)15-11-7-4-8-12-15/h3-13H,1-2H3/q+1
- InChI Key： LBGPXIPGGRQBJW-UHFFFAOYSA-N
- SMILES： [N+]1(C([H])([H])[H])=C(C2C([H])=C([H])C([H])=C([H])C=2[H])C([H])=C(C2C([H])=C([H])C([H])=C([H])C=2[H])N1C([H])([H])[H]
Computed Properties
- Exact Mass: 249.13900
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 251
- Topological Polar Surface Area: 8.8
Experimental Properties
- PSA: 8.81000
- LogP: 3.18360
Difenzoquat Security Information
- Hazardous Material transportation number：UN 2588
- HazardClass：6.1(b)
- PackingGroup：III
- Safety Term：6.1(b)
- Packing Group：III
- Packing Group：III
- Hazard Level：6.1(b)
Difenzoquat Related Literature
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1. Mesoionic compounds derived from pyrazole, isothiazole, and isoxazoleGerhard V. Boyd,Timothy Norris J. Chem. Soc. Perkin Trans. 1 1974 1028
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Gabrielle P. Black,Tarun Anumol,Thomas?M. Young Environ. Sci.: Processes Impacts 2019 21 1099
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Eun Hye Koh,Ji-Young Moon,Sung-Youn Kim,Won-Chul Lee,Sung-Gyu Park,Dong-Ho Kim,Ho Sang Jung Analyst 2021 146 305
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Da-Wen Sun,Lunjie Huang,Hongbin Pu,Ji Ma Chem. Soc. Rev. 2021 50 1070
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Eduardo Ruiz-Hitzky,Pilar Aranda,Margarita Darder,Giora Rytwo J. Mater. Chem. 2010 20 9306
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