Cas no 54599-99-4 (triphenyl(propadienyl)phosphonium)
54599-99-4 structure
Product Name:triphenyl(propadienyl)phosphonium
CAS No:54599-99-4
MF:C21H18BrP
MW:381.24538564682
CID:942131
Update Time:2024-06-13
triphenyl(propadienyl)phosphonium Chemical and Physical Properties
Names and Identifiers
-
- triphenyl(propadienyl)phosphonium
- Propadienyl-phosphonsaeure-di-prop-2-inylester; Propadienyltriphenylphosphonium; Phosphonic acid, 1,2-propadienyl-, di-2-propynyl ester; Di-(2-propinyl)-propadienylphosphonat; Di-propin-(2)-yl-propadienphosphonat; triphenyl-propa-1,2-dienyl-phosphonium cation; CTK0A1426; Propadienyl-phosphonsaeure-dipropargyl-ester; propadienyl-phosphonic acid di-prop-2-ynyl ester;
- Phosphonium, triphenyl-1,2-propadien-1-yl-, bromide (1:1)
-
- Inchi： 1S/C21H18P.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-18H,1H2;1H/q+1;/p-1
- InChI Key： IEJSECDWUIWJNJ-UHFFFAOYSA-M
- SMILES： [P+](C1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)C=C=C.[Br-]
Computed Properties
- Exact Mass: 301.11474
- Monoisotopic Mass: 380.03295
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 329
- 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: 0
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 0
- LogP: 1.28310
triphenyl(propadienyl)phosphonium Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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