Cas no 61514-58-7 (1H-Pyrazole, 3-(chloroethynyl)-1-methyl-)
61514-58-7 structure
Product Name:1H-Pyrazole, 3-(chloroethynyl)-1-methyl-
CAS No:61514-58-7
MF:C6H5ClN2
MW:140.570299863815
CID:476670
PubChem ID:12298389
Update Time:2025-04-19
1H-Pyrazole, 3-(chloroethynyl)-1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole, 3-(chloroethynyl)-1-methyl-
- 3-(2-chloroethynyl)-1-methylpyrazole
- DTXSID10486013
- 61514-58-7
- YOURNEJEXUMGGS-UHFFFAOYSA-
- InChI=1/C6H5ClN2/c1-9-5-3-6(8-9)2-4-7/h3,5H,1H3
- 3-chloroethynyl-N-methylpyrazole
-
- Inchi： 1S/C6H5ClN2/c1-9-5-3-6(8-9)2-4-7/h3,5H,1H3
- InChI Key： YOURNEJEXUMGGS-UHFFFAOYSA-N
- SMILES： ClC#CC1C=CN(C)N=1
Computed Properties
- Exact Mass: 140.01425
- Monoisotopic Mass: 140.0141259g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 155
- 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: 1.5
- Topological Polar Surface Area: 17.8?2
Experimental Properties
- PSA: 17.82
1H-Pyrazole, 3-(chloroethynyl)-1-methyl- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
61514-58-7 (1H-Pyrazole, 3-(chloroethynyl)-1-methyl-) Related Products
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