Cas no 27981-65-3 (1H-Pyrazole,hydrobromide (1:1))
27981-65-3 structure
Product Name:1H-Pyrazole,hydrobromide (1:1)
CAS No:27981-65-3
MF:C3H5BrN2
MW:148.989199399948
CID:279717
PubChem ID:24192253
Update Time:2025-04-19
1H-Pyrazole,hydrobromide (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole,hydrobromide (1:1)
- 1H-pyrazole,hydrobromide
- pyrazolinium bromide
- 1H-Pyrazole--hydrogen bromide (1/1)
- NSC-135736
- SCHEMBL3678264
- NSC135736
- 27981-65-3
- DTXSID60638141
-
- Inchi： 1S/C3H4N2.BrH/c1-2-4-5-3-1;/h1-3H,(H,4,5);1H
- InChI Key： HZFIOFGZCRLYOH-UHFFFAOYSA-N
- SMILES： Br.N1C=CC=N1
Computed Properties
- Exact Mass: 147.96400
- Monoisotopic Mass: 147.963611
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- 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
Experimental Properties
- Density: 1.116
- Boiling Point: 187°Cat760mmHg
- Flash Point: 87.5°C
- PSA: 28.68000
- LogP: 1.36780
1H-Pyrazole,hydrobromide (1:1) Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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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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