Cas no 67514-73-2 (4-chloro-3,5-dimethylpyrazole-1-carbonyl chloride)
67514-73-2 structure
Product Name:4-chloro-3,5-dimethylpyrazole-1-carbonyl chloride
CAS No:67514-73-2
MF:C6H6Cl2N2O
MW:193.0306391716
CID:872157
PubChem ID:12921080
Update Time:2025-04-19
4-chloro-3,5-dimethylpyrazole-1-carbonyl chloride Chemical and Physical Properties
Names and Identifiers
-
- 4-chloro-3,5-dimethylpyrazole-1-carbonyl chloride
- 1H-Pyrazole-1-carbonylchloride,4-chloro-3,5-dimethyl-(9CI)
- 1H-PYRAZOLE-1-CARBONYL CHLORIDE,4-CHLORO-3,5-DIMETHYL
- 4-Chloro-3,5-dimethyl-1H-pyrazole-1-carbonyl chloride
- 67514-73-2
- DTXSID30513017
- SCHEMBL11558205
-
- Inchi： 1S/C6H6Cl2N2O/c1-3-5(7)4(2)10(9-3)6(8)11/h1-2H3
- InChI Key： PADSOZWTBPAHSK-UHFFFAOYSA-N
- SMILES： ClC1C(C)=NN(C(=O)Cl)C=1C
Computed Properties
- Exact Mass: 191.98600
- Monoisotopic Mass: 191.9857182g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 176
- 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: 2.6
- Topological Polar Surface Area: 34.9?2
Experimental Properties
- PSA: 34.89000
- LogP: 2.36020
4-chloro-3,5-dimethylpyrazole-1-carbonyl chloride Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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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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