Cas no 180072-23-5 (1H-Pyrazole, 1,1'-methylenebis[3-(chloromethyl)-5-methyl-)
180072-23-5 structure
Product Name:1H-Pyrazole, 1,1'-methylenebis[3-(chloromethyl)-5-methyl-
CAS No:180072-23-5
MF:C11H14Cl2N4
MW:273.16165971756
CID:1371075
PubChem ID:71353339
Update Time:2025-04-20
1H-Pyrazole, 1,1'-methylenebis[3-(chloromethyl)-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-(chloromethyl)-1-[[3-(chloromethyl)-5-methylpyrazol-1-yl]methyl]-5-methylpyrazole
- 1,1'-Methylenebis[3-(chloromethyl)-5-methyl-1H-pyrazole]
- 180072-23-5
- DTXSID90778089
- 1H-Pyrazole, 1,1'-methylenebis[3-(chloromethyl)-5-methyl-
-
- Inchi： 1S/C11H14Cl2N4/c1-8-3-10(5-12)14-16(8)7-17-9(2)4-11(6-13)15-17/h3-4H,5-7H2,1-2H3
- InChI Key： MXNRGOWGENHAPF-UHFFFAOYSA-N
- SMILES： ClCC1C=C(C)N(CN2C(C)=CC(CCl)=N2)N=1
Computed Properties
- Exact Mass: 272.05982
- Monoisotopic Mass: 272.0595519g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 230
- 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
- Topological Polar Surface Area: 35.6?2
Experimental Properties
- PSA: 35.64
1H-Pyrazole, 1,1'-methylenebis[3-(chloromethyl)-5-methyl- Related Literature
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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