Cas no 35877-22-6 (1H-pyrazole hydrochloride (1:1))
35877-22-6 structure
Product Name:1H-pyrazole hydrochloride (1:1)
CAS No:35877-22-6
MF:C3H5ClN2
MW:104.538199186325
CID:1472661
PubChem ID:190350
Update Time:2025-04-20
1H-pyrazole hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 1H-pyrazole hydrochloride (1:1)
- 1H-pyrazole,hydrochloride
- 1H-Pyrazole, hydrochloride (1:1)
- pyrazole hydrochloride
- 1H-Pyrazole--hydrogen chloride (1/1)
- DTXSID90957296
- SCHEMBL560492
- 35877-22-6
-
- Inchi： 1S/C3H4N2.ClH/c1-2-4-5-3-1;/h1-3H,(H,4,5);1H
- InChI Key： JHTKOUJDEUQFOB-UHFFFAOYSA-N
- SMILES： Cl.N1C=CC=N1
Computed Properties
- Exact Mass: 104.01425
- Monoisotopic Mass: 104.0141259g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 6
- Rotatable Bond Count: 0
- Complexity: 28.1
- 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: 28.7?2
Experimental Properties
- PSA: 28.68
1H-pyrazole hydrochloride (1:1) Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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