Cas no 7614-96-2 (Phenol, 2,4,6-trinitro-, acetate (ester))
7614-96-2 structure
Product Name:Phenol, 2,4,6-trinitro-, acetate (ester)
CAS No:7614-96-2
MF:C8H5N3O8
MW:271.140601873398
CID:538260
PubChem ID:12296705
Update Time:2025-04-19
Phenol, 2,4,6-trinitro-, acetate (ester) Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2,4,6-trinitro-, acetate (ester)
- 2,4,6-Trinitro-phenylacetat
- acetic acid picryl ester
- Essigsaeure-(2.4.6-trinitro-phenyl)-ester
- Essigsaeure-picrylester
- picryl acetate
- Pikrylacetate
- 2,4,6-trinitrophenyl acetate
- SCHEMBL11563856
- DTXSID901308836
- 7614-96-2
-
- Inchi： 1S/C8H5N3O8/c1-4(12)19-8-6(10(15)16)2-5(9(13)14)3-7(8)11(17)18/h2-3H,1H3
- InChI Key： OWGBEEOYEIPCMY-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 271.00800
- Monoisotopic Mass: 271.00766413g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 384
- 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: 1.2
- Topological Polar Surface Area: 164?2
Experimental Properties
- PSA: 163.76000
- LogP: 2.90610
Phenol, 2,4,6-trinitro-, acetate (ester) Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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