Cas no 99103-36-3 (1H-Imidazole, 1-(2-chloroethyl)-2-(chloromethyl)-4,5-dihydro-, monohydrochloride)
99103-36-3 structure
Product Name:1H-Imidazole, 1-(2-chloroethyl)-2-(chloromethyl)-4,5-dihydro-, monohydrochloride
CAS No:99103-36-3
MF:C6H11Cl3N2
MW:217.523938417435
CID:806153
Update Time:2023-08-03
1H-Imidazole, 1-(2-chloroethyl)-2-(chloromethyl)-4,5-dihydro-, monohydrochloride Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole,1-(2-chloroethyl)-2-(chloromethyl)-4,5-dihydro-, hydrochloride (1:1)
- chlorimidazine
- Chloroimidazine hcl
- 1H-Imidazole, 1-(2-chloroethyl)-2-(chloromethyl)-4,5-dihydro-, monohydrochloride
- 1-Chloroethyl-2-chloromethyl-2-imidazoline
- 1-(2-Chloroethyl)-2-(chloromethyl)-4,5-dihydro-1H-imidazole--hydrogen chloride (1/1)
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- Inchi： 1S/C6H10Cl2N2.ClH/c7-1-3-10-4-2-9-6(10)5-8;/h1-5H2;1H
- InChI Key： GDRCOZCGZICRFE-UHFFFAOYSA-N
- SMILES： ClCCN1C(CCl)=NCC1.Cl
Computed Properties
- Exact Mass: 215.999
- Monoisotopic Mass: 215.999
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 136
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 15.6
Experimental Properties
- Boiling Point: 281.9°Cat760mmHg
- Flash Point: 124.3°C
1H-Imidazole, 1-(2-chloroethyl)-2-(chloromethyl)-4,5-dihydro-, monohydrochloride Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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