Cas no 52129-70-1 (Ethanone,1-(4-chloro-3,5-dinitrophenyl)-)
52129-70-1 structure
Product Name:Ethanone,1-(4-chloro-3,5-dinitrophenyl)-
CAS No:52129-70-1
MF:C8H5ClN2O5
MW:244.58870100975
CID:380663
PubChem ID:104087
Update Time:2025-04-19
Ethanone,1-(4-chloro-3,5-dinitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-(4-chloro-3,5-dinitrophenyl)-
- 1-(4-chloro-3,5-dinitrophenyl)ethanone
- 4'-Chloro-3',5'-dinitroacetophenone
- 52129-70-1
- HRQFCDXXFJOADN-UHFFFAOYSA-N
- SCHEMBL11389414
- AM20040619
- Ethanone, 1-(4-chloro-3,5-dinitrophenyl)-
- 1-(4-chloro-3,5-dinitro-phenyl)-ethanone
- DTXSID8068709
-
- Inchi： 1S/C8H5ClN2O5/c1-4(12)5-2-6(10(13)14)8(9)7(3-5)11(15)16/h2-3H,1H3
- InChI Key： HRQFCDXXFJOADN-UHFFFAOYSA-N
- SMILES： ClC1=C(C=C(C(C)=O)C=C1[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 243.98875
- Monoisotopic Mass: 243.989
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 299
- 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
- XLogP3: 2.7
- Topological Polar Surface Area: 109?2
Experimental Properties
- Density: 1.561
- Boiling Point: 313.9°C at 760 mmHg
- Flash Point: 143.7°C
- Refractive Index: 1.609
- PSA: 103.35
Ethanone,1-(4-chloro-3,5-dinitrophenyl)- Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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