Cas no 17973-92-1 (Phenol,4-amino-2,6-dinitro-)
Phenol,4-amino-2,6-dinitro- structure
Product Name:Phenol,4-amino-2,6-dinitro-
CAS No:17973-92-1
MF:C6H5N3O5
MW:199.121001005173
CID:185830
PubChem ID:5483925
Update Time:2025-04-19
Phenol,4-amino-2,6-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,4-amino-2,6-dinitro-
- 4-amino-2,6-dinitrophenol
- Isopicramic Acid
- 4-amino-2,6-dinitro-phenol
- AKOS004121710
- 17973-92-1
- Phenol, 4-amino-2,6-dinitro-
- SCHEMBL8059114
- DTXSID20170855
-
- Inchi： 1S/C6H5N3O5/c7-3-1-4(8(11)12)6(10)5(2-3)9(13)14/h1-2,10H,7H2
- InChI Key： TTXPIURLJOPGTE-UHFFFAOYSA-N
- SMILES： OC1C(=CC(=CC=1[N+](=O)[O-])N)[N+](=O)[O-]
Computed Properties
- Exact Mass: 199.02295
- Monoisotopic Mass: 199.02292027g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 223
- 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: 0.4
- Topological Polar Surface Area: 138?2
Experimental Properties
- Melting Point: >250°C
- Solubility: Solubility Insoluble in water; soluble in ethanol
- PSA: 132.53
- pka: 5.09(at 25℃)
- PH: Rose-pink (4.0) to yellow (5.6)
Phenol,4-amino-2,6-dinitro- Related Literature
-
Sanjog S. Nagarkar,Aamod V. Desai,Sujit K. Ghosh CrystEngComm 2016 18 2994
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