Cas no 19019-04-6 (Benzonitrile,2-methoxy-3,5-dinitro-)
19019-04-6 structure
Product Name:Benzonitrile,2-methoxy-3,5-dinitro-
CAS No:19019-04-6
MF:C8H5N3O5
MW:223.142401456833
CID:206657
PubChem ID:87898
Update Time:2025-04-19
Benzonitrile,2-methoxy-3,5-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile,2-methoxy-3,5-dinitro-
- 2-methoxy-3,5-dinitrobenzonitrile
- Einecs 242-757-1
- 2-Cyano-4,6-dinitroanisole
- SCHEMBL9736340
- AKOS005449110
- 19019-04-6
- NS00026219
- A4277
- DTXSID20172495
-
- Inchi: 1S/C8H5N3O5/c1-16-8-5(4-9)2-6(10(12)13)3-7(8)11(14)15/h2-3H,1H3
- InChI Key: BKJAXBDANXXYKI-UHFFFAOYSA-N
- SMILES: O(C)C1C(C#N)=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 223.02295
- Monoisotopic Mass: 223.023
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 338
- 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: 1.3
- Topological Polar Surface Area: 125?2
Experimental Properties
- Density: 1.52
- Boiling Point: 388.3°Cat760mmHg
- Flash Point: 188.6°C
- Refractive Index: 1.595
- PSA: 119.3
Benzonitrile,2-methoxy-3,5-dinitro- Related Literature
-
Hugo Cruz,Iluminada Gallardo,Gonzalo Guirado Green Chem. 2011 13 2531
-
2. Direct methoxylation of nitroarenes and nitroazaarenes with alkaline methoxides via nucleophilic displacement of an aromatic hydrogen atomTakehiko Kawakami,Hitomi Suzuki J. Chem. Soc. Perkin Trans. 1 2000 1259
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