Cas no 88766-66-9 (3H-Pyrazole, 4-(difluoromethylene)-4,5-dihydro-)
88766-66-9 structure
Product Name:3H-Pyrazole, 4-(difluoromethylene)-4,5-dihydro-
CAS No:88766-66-9
MF:C4H4F2N2
MW:118.084767341614
CID:621881
PubChem ID:71320140
Update Time:2025-04-19
3H-Pyrazole, 4-(difluoromethylene)-4,5-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 3H-Pyrazole, 4-(difluoromethylene)-4,5-dihydro-
- 4-(difluoromethylidene)-3,5-dihydropyrazole
- 3H-Pyrazole,4-(difluoromethylene)-4,5-dihydro
- 4-(difluoromethylene)-1-pyrazoline
- 4-(difluoromethylene)-4,5-dihydro-3H-pyrazole
- 88766-66-9
- 4-(Difluoromethylidene)-4,5-dihydro-3H-pyrazole
- DTXSID70750121
-
- Inchi： 1S/C4H4F2N2/c5-4(6)3-1-7-8-2-3/h1-2H2
- InChI Key： WRRGHGPLUMCUIU-UHFFFAOYSA-N
- SMILES： F/C(=C1\CN=NC\1)/F
Computed Properties
- Exact Mass: 118.03400
- Monoisotopic Mass: 118.03425446g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 136
- 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
- XLogP3: 0.5
- Topological Polar Surface Area: 24.7?2
Experimental Properties
- Density: 1.41±0.1 g/cm3 (20 oC 760 Torr),
- Boiling Point: 77.0±35.0 oC (760 Torr),
- Flash Point: 0.3±25.9 oC,
- Solubility: Slightly soluble (6.7 g/l) (25 o C),
- PSA: 24.72000
- LogP: 0.47400
3H-Pyrazole, 4-(difluoromethylene)-4,5-dihydro- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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