Cas no 29229-59-2 (1,5-Hexanedione,1-(4-fluorophenyl)-)
29229-59-2 structure
Product Name:1,5-Hexanedione,1-(4-fluorophenyl)-
CAS No:29229-59-2
MF:C12H13FO2
MW:208.228827238083
CID:279277
PubChem ID:34523
Update Time:2025-04-19
1,5-Hexanedione,1-(4-fluorophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,5-Hexanedione,1-(4-fluorophenyl)-
- 1-(4-fluorophenyl)hexane-1,5-dione
- 1,5-HEXANEDIONE, 1-(p-FLUOROPHENYL)-
- 29229-59-2
- SCHEMBL13564338
- DTXSID60183484
- BRN 2580560
- 1-(p-Fluorophenyl)-1,5-hexanedione
-
- Inchi： 1S/C12H13FO2/c1-9(14)3-2-4-12(15)10-5-7-11(13)8-6-10/h5-8H,2-4H2,1H3
- InChI Key： BPCPUXWYSQVODK-UHFFFAOYSA-N
- SMILES： FC1C=CC(=CC=1)C(CCCC(C)=O)=O
Computed Properties
- Exact Mass: 208.08999
- Monoisotopic Mass: 208.089958
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 230
- 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: 34.1
- XLogP3: 1.7
Experimental Properties
- Density: 1.105
- Boiling Point: 333.1°Cat760mmHg
- Flash Point: 127.7°C
- Refractive Index: 1.494
- PSA: 34.14
1,5-Hexanedione,1-(4-fluorophenyl)- Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
29229-59-2 (1,5-Hexanedione,1-(4-fluorophenyl)-) Related Products
- 29114-66-7(4'-Fluorovalerophenone)
- 582-83-2(1-(4-Fluorophenyl)butan-1-one)
- 347-91-1(2-(4-Fluorophenyl)-1-phenylethanone)
- 347-84-2(1-(4-fluorophenyl)-2-phenylethan-1-one)
- 709-24-0(4'-Fluorovalerophenone)
- 456-03-1(4'-Fluoropropiophenone)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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