Cas no 26471-56-7 (Benzenamine,ar,ar-dinitro-)
Benzenamine,ar,ar-dinitro- structure
Product Name:Benzenamine,ar,ar-dinitro-
CAS No:26471-56-7
MF:C6H5N3O4
MW:183.121600866318
CID:268540
PubChem ID:136400
Update Time:2025-04-19
Benzenamine,ar,ar-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine,ar,ar-dinitro-
- 2,3-dinitroaniline
- Ar,ar-dinitrobenzenamine
- Dinitroanilines
- Dinitroanilines [UN1596] [Poison]
- UN1596
- DTXSID80949347
- Benzenamine,3-dinitro-
- 26471-56-7
- 2,3-Dinitro-anilin
- SCHEMBL17934
- Aniline, 2,3-dinitro-
- NSC 37400
- CGNBQYFXGQHUQP-UHFFFAOYSA-N
- NSC-37400
- Aniline,3-dinitro-
- FT-0632496
- NSC37400
- MFCD00179569
- AS-40335
- AE-641/02454014
- Benzenamine, ar,ar-dinitro-
- 602-03-9
- 2,3-DINITRO-PHENYLAMINE
- AKOS004910290
-
- Inchi： 1S/C6H5N3O4/c7-4-2-1-3-5(8(10)11)6(4)9(12)13/h1-3H,7H2
- InChI Key： CGNBQYFXGQHUQP-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C(=CC=CC=1[N+](=O)[O-])N)=O
Computed Properties
- Exact Mass: 183.02805
- Monoisotopic Mass: 183.028
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 221
- 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: 1.8
- Topological Polar Surface Area: 118?2
Experimental Properties
- Density: 1.586
- Boiling Point: 423.9°Cat760mmHg
- Flash Point: 210.2°C
- Refractive Index: 1.679
- PSA: 89.52
Benzenamine,ar,ar-dinitro- Related Literature
-
1. The rearrangement of aromatic nitro compounds. Part 1. The reactions of nitroanilines in aqueous sulphuric acidJ. Timothy Murphy,Jon H. Ridd J. Chem. Soc. Perkin Trans. 2 1987 1767
-
2. cine and tele Substitutions in the reaction of 2,3-dinitroaniline with secondary aminesDavid P. Self,David E. West,Michael R. Stillings J. Chem. Soc. Chem. Commun. 1980 281
-
3. The migration of aromatic nitro-groupsK. H. Pausacker,J. G. Scroggie J. Chem. Soc. 1955 1897
-
4. The mechanism of nitration of 2,3-dinitroaniline in aqueous sulphuric acid. Evidence for Bamberger's hypothesis of N-nitration followed by rearrangementJ. H. Ridd,E. F. V. Scriven J. Chem. Soc. Chem. Commun. 1972 641
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