Cas no 62664-81-7 (Phenanthrene, 3-methyl-, compd. with 1,3,5-trinitrobenzene (1:1))
62664-81-7 structure
Product Name:Phenanthrene, 3-methyl-, compd. with 1,3,5-trinitrobenzene (1:1)
CAS No:62664-81-7
MF:C21H15N3O6
MW:405.360305070877
CID:436119
PubChem ID:71384061
Update Time:2025-04-19
Phenanthrene, 3-methyl-, compd. with 1,3,5-trinitrobenzene (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Phenanthrene, 3-methyl-, compd. with 1,3,5-trinitrobenzene (1:1)
- 3-methylphenanthrene,1,3,5-trinitrobenzene
- 62664-81-7
- 3-Methylphenanthrene--1,3,5-trinitrobenzene (1/1)
- DTXSID10806338
-
- Inchi： 1S/C15H12.C6H3N3O6/c1-11-6-7-13-9-8-12-4-2-3-5-14(12)15(13)10-11;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h2-10H,1H3;1-3H
- InChI Key： ADTNJKFWPUUYDR-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C=C(C=1)[N+](=O)[O-])[N+](=O)[O-])=O.C12=CC(C)=CC=C1C=CC1C=CC=CC2=1
Computed Properties
- Exact Mass: 405.09615
- Monoisotopic Mass: 405.09608521g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 30
- Rotatable Bond Count: 0
- Complexity: 449
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 138?2
Experimental Properties
- PSA: 129.42
Phenanthrene, 3-methyl-, compd. with 1,3,5-trinitrobenzene (1:1) Related Literature
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
62664-81-7 (Phenanthrene, 3-methyl-, compd. with 1,3,5-trinitrobenzene (1:1)) Related Products
- 618-61-1(3-Methyl-5-nitroaniline)
- 618-85-9(1-Methyl-3,5-dinitrobenzene)
- 880-93-3(1-Methyl-4-nitronaphthalene)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
Recommended suppliers
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
NewCan Biotech Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
Xiamen PinR Bio-tech Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Jinhuan Chemical CO., LTD.
Gold Member
Audited Supplier
CN Supplier
Bulk
Zouping Mingyuan Import and Export Trading Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
