Cas no 83612-48-0 (Ethanone,2-bromo-1-(3,5-dimethyl-1H-pyrazol-1-yl)-)
83612-48-0 structure
Product Name:Ethanone,2-bromo-1-(3,5-dimethyl-1H-pyrazol-1-yl)-
CAS No:83612-48-0
MF:C7H9BrN2O
MW:217.063160657883
CID:720785
PubChem ID:12791875
Update Time:2025-04-19
Ethanone,2-bromo-1-(3,5-dimethyl-1H-pyrazol-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,2-bromo-1-(3,5-dimethyl-1H-pyrazol-1-yl)-
- 1H-Pyrazole, 1-(bromoacetyl)-3,5-dimethyl- (9CI)
- 2-bromo-1-(3,5-dimethylpyrazol-1-yl)ethanone
- PYR006
- A840611
- 2-Bromo-1-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one
- DTXSID10509993
- 83612-48-0
- FT-0748850
- 2-bromo-1-(3,5-dimethyl-1H-pyrazol-1-yl)ethanone
- AKOS003397665
- 1-(BROMOACETYL)-3,5-DIMETHYL-1H-PYRAZOLE
-
- Inchi： 1S/C7H9BrN2O/c1-5-3-6(2)10(9-5)7(11)4-8/h3H,4H2,1-2H3
- InChI Key： IUWPRQGEQIIFCG-UHFFFAOYSA-N
- SMILES： BrCC(N1C(C)=CC(C)=N1)=O
Computed Properties
- Exact Mass: 215.99000
- Monoisotopic Mass: 215.98983g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 163
- 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: 1.7
- Topological Polar Surface Area: 34.9?2
Experimental Properties
- Density: 1.54
- Boiling Point: 290.2°C at 760 mmHg
- Flash Point: 129.3°C
- Refractive Index: 1.589
- PSA: 34.89000
- LogP: 1.53500
Ethanone,2-bromo-1-(3,5-dimethyl-1H-pyrazol-1-yl)- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Hui Liu,Deyong Su,Guolin Cheng,Jimin Xu,Xinyan Wang,Yuefei Hu Org. Biomol. Chem., 2010,8, 1899-1904
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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