Cas no 15895-15-5 (Butanoic acid,4-fluoro-4,4-dinitro-)
15895-15-5 structure
Product Name:Butanoic acid,4-fluoro-4,4-dinitro-
CAS No:15895-15-5
MF:C4H5FN2O6
MW:196.090704679489
CID:166014
PubChem ID:253618
Update Time:2025-04-19
Butanoic acid,4-fluoro-4,4-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,4-fluoro-4,4-dinitro-
- 4-fluoro-4,4-dinitrobutanoic acid
- 15895-15-5
- 4-fluoro-4,4-dinitrobutyric acid
- SCHEMBL9420199
- AKOS022141632
- NSC76729
- DTXSID70291605
- NSC-76729
-
- Inchi： 1S/C4H5FN2O6/c5-4(6(10)11,7(12)13)2-1-3(8)9/h1-2H2,(H,8,9)
- InChI Key： MQFRQOPGVMAEFJ-UHFFFAOYSA-N
- SMILES： FC(CCC(=O)O)([N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 196.01315
- Monoisotopic Mass: 196.013164
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 228
- 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
- Topological Polar Surface Area: 129
- XLogP3: 0.2
Experimental Properties
- Density: 1.63
- Boiling Point: 318.3°Cat760mmHg
- Flash Point: 146.3°C
- Refractive Index: 1.482
- PSA: 123.58
Butanoic acid,4-fluoro-4,4-dinitro- Related Literature
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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