Cas no 1009318-82-4 (3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid methyl ester)
1009318-82-4 structure
Product Name:3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid methyl ester
3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Difluoromethyl-1-methyl-1H-pyrazole-4-carboxylic acid methyl ester
- 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid methyl ester
- methyl 3-(difluoromethyl)-1-methylpyrazole-4-carboxylate
- STL589117
- 1H-Pyrazole-4-carboxylic acid, 3-(difluoromethyl)-1-methyl-, methyl ester
- methyl 3-(difluoromethyl)-1-methyl-1h-pyrazole-4-carboxylate
- SCHEMBL596089
- DB-128095
- methyl 3-difluoromethyl-1-methylpyrazole-4-carboxylate
- 1009318-82-4
- G90845
- AKOS025149150
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- Inchi： 1S/C7H8F2N2O2/c1-11-3-4(7(12)13-2)5(10-11)6(8)9/h3,6H,1-2H3
- InChI Key： YJQZFIRWILVKCP-UHFFFAOYSA-N
- SMILES： N1(C)C=C(C(OC)=O)C(C(F)F)=N1
Computed Properties
- Exact Mass: 190.05538383g/mol
- Monoisotopic Mass: 190.05538383g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 201
- 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: 0.7
- Topological Polar Surface Area: 44.1?2
Experimental Properties
- Density: 1.35±0.1 g/cm3 (20 oC 760 Torr),
- Boiling Point: 274.0±40.0 oC (760 Torr),
- Flash Point: 119.5±27.3 oC,
- Solubility: Slightly soluble (9.5 g/l) (25 o C),
3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid methyl ester Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Jason Wan Lab Chip, 2020,20, 4528-4538
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