Cas no 7079-86-9 (Hexanoicacid, 4,4,5,5,6,6,6-heptafluoro-3-(nitromethyl)-)
7079-86-9 structure
Product Name:Hexanoicacid, 4,4,5,5,6,6,6-heptafluoro-3-(nitromethyl)-
CAS No:7079-86-9
MF:C7H6F7NO4
MW:301.115666866302
CID:581716
PubChem ID:268359
Update Time:2025-04-19
Hexanoicacid, 4,4,5,5,6,6,6-heptafluoro-3-(nitromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Hexanoicacid, 4,4,5,5,6,6,6-heptafluoro-3-(nitromethyl)-
- 4,4,5,5,6,6,6-heptafluoro-3-(nitromethyl)hexanoic acid
- 7079-86-9
- NSC-108514
- DTXSID60296260
- NS00110863
- NSC108514
- NSC 108514
-
- Inchi： 1S/C7H6F7NO4/c8-5(9,6(10,11)7(12,13)14)3(1-4(16)17)2-15(18)19/h3H,1-2H2,(H,16,17)
- InChI Key： MMHHDSOESNPFFR-UHFFFAOYSA-N
- SMILES： FC(C(C(F)(F)F)(F)F)(C(C[N+](=O)[O-])CC(=O)O)F
Computed Properties
- Exact Mass: 301.01848
- Monoisotopic Mass: 301.019
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 11
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 361
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 83.1?2
Experimental Properties
- Density: 1.583
- Boiling Point: 290.1°Cat760mmHg
- Flash Point: 129.3°C
- Refractive Index: 1.37
- PSA: 80.44
Hexanoicacid, 4,4,5,5,6,6,6-heptafluoro-3-(nitromethyl)- Related Literature
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Nduka Ikpo,Jenna C. Flogeras,Francesca M. Kerton Dalton Trans., 2013,42, 8998-9006
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Yingbo Li,Nada Mehio,Huizhou Liu,Sheng Dai Green Chem., 2015,17, 2981-2993
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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