Cas no 637022-60-7 (1H-Pyrazole-3-carboxylic acid, 4-chloro-5-(2-thienyl)-, ethyl ester)
637022-60-7 structure
Product Name:1H-Pyrazole-3-carboxylic acid, 4-chloro-5-(2-thienyl)-, ethyl ester
CAS No:637022-60-7
MF:C10H9ClN2O2S
MW:256.708659887314
CID:1656406
Update Time:2024-08-30
1H-Pyrazole-3-carboxylic acid, 4-chloro-5-(2-thienyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole-3-carboxylic acid, 4-chloro-5-(2-thienyl)-, ethyl ester
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- Inchi： 1S/C10H9ClN2O2S/c1-2-15-10(14)9-7(11)8(12-13-9)6-4-3-5-16-6/h3-5H,2H2,1H3,(H,12,13)
- InChI Key： NUWIFWDROFJEEC-UHFFFAOYSA-N
- SMILES： N1C(C2SC=CC=2)=C(Cl)C(C(OCC)=O)=N1
Computed Properties
- Exact Mass: 256.00747
Experimental Properties
- Density: 1.409±0.06 g/cm3(Predicted)
- Boiling Point: 422.1±45.0 °C(Predicted)
- PSA: 54.98
- pka: 9.03±0.50(Predicted)
1H-Pyrazole-3-carboxylic acid, 4-chloro-5-(2-thienyl)-, ethyl ester Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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