Dehloran plus
Identifikacija
CAS registarski broj
13560-89-9 Y
PubChem [1] [2] 26111
ChemSpider [3] 24323 Y
Jmol -3D slike
Slika 1
ClC1=C(Cl)C2(Cl)C3CCC4C(CCC3C1(Cl)C2(Cl)Cl)C5(Cl)C(=C(Cl)C4(Cl)C5(Cl)Cl)Cl
InChI=1S/C18H12Cl12/c19-9-10(20)15(25)7-3-4-8-6(2-1-5(7)13(9,23)17(15,27)28)14(24)11(21)12(22)16(8,26)18(14,29)30/h5-8H,1-4H2 Y Y
InChI=1/C18H12Cl12/c19-9-10(20)15(25)7-3-4-8-6(2-1-5(7)13(9,23)17(15,27)28)14(24)11(21)12(22)16(8,26)18(14,29)30/h5-8H,1-4H2
Svojstva
Molekulska formula
C18 H12 Cl12
Molarna masa
653.72 g mol−1
standardno stanje (25 °C, 100 kPa) materijala
Infobox references
Dehloran plus (skraćeno DDC-CO [4] organsko jedinjenje , koje sadrži 18 atoma ugljenika i ima molekulsku masu od 653,724 Da polihlorinisani retardant plamena , koji proizvodi preduzeće Oxychem . Ovo jedinjenje se formira Dils-Alderovom reakcijom dva ekvivalenta heksahlorociklopentadiena sa jednim ekvivalentom ciklooktadiena . sin i anti izomeri se formiraju u aproksimativnom odnosu 1:3.[5] [6]
↑ Li Q, Cheng T, Wang Y, Bryant SH (2010). „PubChem as a public resource for drug discovery.” . Drug Discov Today 15 (23-24): 1052-7. DOI :10.1016/j.drudis.2010.10.003 . PMID 20970519 . edit ↑ Evan E. Bolton, Yanli Wang, Paul A. Thiessen, Stephen H. Bryant (2008). „Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities”. Annual Reports in Computational Chemistry 4 : 217-241. DOI :10.1016/S1574-1400(08)00012-1 . ↑ Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. (2010). „Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining” . J Cheminform 2 (1): 3. DOI :10.1186/1758-2946-2-3 . PMID 20331846 . edit ↑ DOI :10.1016/j.envint.2012.08.003 This citation will be automatically completed in the next few minutes. You can jump the queue or expand by hand ↑ DOI :10.1021/es2003028 This citation will be automatically completed in the next few minutes. You can jump the queue or expand by hand ↑ DOI :10.1016/S0040-4039(00)92688-1 This citation will be automatically completed in the next few minutes. You can jump the queue or expand by hand ↑ Ghose, A.K., Viswanadhan V.N., and Wendoloski, J.J. (1998). „Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods” . J. Phys. Chem. A 102 : 3762-3772. DOI :10.1021/jp980230o . ↑ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE. (2001). „Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices” . Chem Inf. Comput. Sci. 41 : 1488-1493. DOI :10.1021/ci000392t . PMID 11749573 . ↑ Ertl P., Rohde B., Selzer P. (2000). „Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties” . J. Med. Chem. 43 : 3714-3717. DOI :10.1021/jm000942e . PMID 11020286 .
sin izomer
anti izomer
