Cas no 1089212-41-8 (3-(dichloromethyl)-1-methyl-1H-Pyrazole)
1089212-41-8 structure
Product Name:3-(dichloromethyl)-1-methyl-1H-Pyrazole
CAS No:1089212-41-8
MF:C5H6Cl2N2
MW:165.020538806915
CID:1098419
PubChem ID:44541970
Update Time:2025-04-20
3-(dichloromethyl)-1-methyl-1H-Pyrazole Chemical and Physical Properties
Names and Identifiers
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- 3-(dichloromethyl)-1-methyl-1H-Pyrazole
- 3-dichloromethyl-N-methylpyrazole
- 3-dichloromethyl-1-methyl-1h-pyrazole
- 3-(dichloromethyl)-1-methylpyrazole
- SCHEMBL1086136
- SY331131
- JIBCIWOQRGOTRD-UHFFFAOYSA-N
- MFCD16619900
- 1089212-41-8
-
- Inchi： 1S/C5H6Cl2N2/c1-9-3-2-4(8-9)5(6)7/h2-3,5H,1H3
- InChI Key： JIBCIWOQRGOTRD-UHFFFAOYSA-N
- SMILES： ClC(C1C=CN(C)N=1)Cl
Computed Properties
- Exact Mass: 163.9908036g/mol
- Monoisotopic Mass: 163.9908036g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 97
- 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: 1.4
- Topological Polar Surface Area: 17.8?2
3-(dichloromethyl)-1-methyl-1H-Pyrazole Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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