Cas no 35666-27-4 (3-Pyridinol,2,6-dinitro-, 3-acetate)
35666-27-4 structure
Product Name:3-Pyridinol,2,6-dinitro-, 3-acetate
CAS No:35666-27-4
MF:C7H5N3O6
MW:227.131101369858
CID:322823
PubChem ID:3015794
Update Time:2025-04-19
3-Pyridinol,2,6-dinitro-, 3-acetate Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinol,2,6-dinitro-, 3-acetate
- (2,6-dinitropyridin-3-yl) acetate
- 2,6-Dinitropyridin-3-yl acetate
- 3-pyridinol, 2,6-dinitro-, acetate (ester)
- DTXSID30189170
- 35666-27-4
- 3-Acetoxy-2,6-dinitropyridine
-
- Inchi： 1S/C7H5N3O6/c1-4(11)16-5-2-3-6(9(12)13)8-7(5)10(14)15/h2-3H,1H3
- InChI Key： ORBRXVAYODLQOU-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1=CC=C([N+](=O)[O-])N=C1[N+](=O)[O-]
Computed Properties
- Exact Mass: 227.01785
- Monoisotopic Mass: 227.017835
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 308
- 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: 131
- XLogP3: 0.9
Experimental Properties
- Density: 1.577
- Boiling Point: 442.4°Cat760mmHg
- Flash Point: 221.3°C
- Refractive Index: 1.592
- PSA: 125.47
3-Pyridinol,2,6-dinitro-, 3-acetate Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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