Cas no 226711-12-2 (Benzenemethanol,4-amino-2,6-dinitro-)
226711-12-2 structure
Product Name:Benzenemethanol,4-amino-2,6-dinitro-
CAS No:226711-12-2
MF:C7H7N3O5
MW:213.147581338882
CID:244862
PubChem ID:2762522
Update Time:2025-04-19
Benzenemethanol,4-amino-2,6-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenemethanol,4-amino-2,6-dinitro-
- (4-amino-2,6-dinitrophenyl)methanol
- 4-AMINO-2,6-DINITROBENZENEMETHANOL
- 4-Amino-2,6-dinitrobenzyl alcohol
- Benzenemethanol,4-amino-2,6-dinitro
- DTXSID70945338
- A816303
- Benzenemethanol, 4-amino-2,6-dinitro-
- CCRIS 9301
- Q27893627
- Benzyl alcohol, 4-amino-2,4-dinitro-
- UNII-G72YBJ77ID
- G72YBJ77ID
- 226711-12-2
- FT-0617457
-
- Inchi： 1S/C7H7N3O5/c8-4-1-6(9(12)13)5(3-11)7(2-4)10(14)15/h1-2,11H,3,8H2
- InChI Key： DTEYAKYAIQIMOY-UHFFFAOYSA-N
- SMILES： OCC1C(=CC(=CC=1[N+](=O)[O-])N)[N+](=O)[O-]
Computed Properties
- Exact Mass: 213.03900
- Monoisotopic Mass: 213.039
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 236
- 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
- Topological Polar Surface Area: 138?2
Experimental Properties
- Density: 1.649
- Boiling Point: 452 oC
- Flash Point: 227 oC
- Refractive Index: 1.701
- PSA: 137.89000
- LogP: 2.20510
Benzenemethanol,4-amino-2,6-dinitro- Related Literature
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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