Cas no 53551-92-1 (1H-Pyrazole,1-ethenyl-3-methyl-)
53551-92-1 structure
Product Name:1H-Pyrazole,1-ethenyl-3-methyl-
CAS No:53551-92-1
MF:C6H8N2
MW:108.141120910645
CID:383654
PubChem ID:3016825
Update Time:2025-04-19
1H-Pyrazole,1-ethenyl-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole,1-ethenyl-3-methyl-
- 1-ethenyl-3-methylpyrazole
- 1-Ethenyl-3-methyl-1H-pyrazole
- 1-Vinyl-3-methyl-pyrazol
- 1-vinyl-3-methylpyrazole
- 3-methyl-1-vinyl-1H-pyrazole
- 3-Methyl-1-vinyl-pyrazol
- 3-methyl-1-vinylpyrazole
- AC1MI3OT
- AG-F-84099
- CTK4J8355
- N-vinyl-3-methylpyrazole
- SureCN536550
- 1H-Pyrazole, 1-ethenyl-3-methyl-
- DTXSID70201764
- SCHEMBL536550
- InChI=1/C6H8N2/c1-3-8-5-4-6(2)7-8/h3-5H,1H2,2H
- 53551-92-1
-
- Inchi： 1S/C6H8N2/c1-3-8-5-4-6(2)7-8/h3-5H,1H2,2H3
- InChI Key： HXPGEXSWCTYWSC-UHFFFAOYSA-N
- SMILES： N1(C=C)C=CC(C)=N1
Computed Properties
- Exact Mass: 108.06884
- Monoisotopic Mass: 189.115364
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 152
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 43.1
- XLogP3: 1.2
Experimental Properties
- Density: 0.94
- Boiling Point: 76.1°C at 760 mmHg
- Refractive Index: 1.513
- PSA: 17.82
- LogP: 1.29200
1H-Pyrazole,1-ethenyl-3-methyl- Security Information
- Hazardous Material transportation number：UN 1993
- HazardClass：3.2
- PackingGroup：III
- Packing Group：III
- Hazard Level：3.2
1H-Pyrazole,1-ethenyl-3-methyl- Related Literature
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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