Cas no 54559-00-1 (Naphthalene, 1,8-dimethyl-2,4,5-trinitro-)
54559-00-1 structure
Product Name:Naphthalene, 1,8-dimethyl-2,4,5-trinitro-
CAS No:54559-00-1
MF:C12H9N3O6
MW:291.216362714767
CID:335959
PubChem ID:71441691
Update Time:2025-04-19
Naphthalene, 1,8-dimethyl-2,4,5-trinitro- Chemical and Physical Properties
Names and Identifiers
-
- Naphthalene, 1,8-dimethyl-2,4,5-trinitro-
- 1,8-dimethyl-2,4,5-trinitronaphthalene
- 54559-00-1
- DTXSID10850614
-
- Inchi： 1S/C12H9N3O6/c1-6-3-4-8(13(16)17)12-10(15(20)21)5-9(14(18)19)7(2)11(6)12/h3-5H,1-2H3
- InChI Key： CYXLXURJKLQPNN-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=C(C(C)=C2C(C)=CC=C(C2=1)[N+](=O)[O-])[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 291.04913502g/mol
- Monoisotopic Mass: 291.04913502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 21
- Rotatable Bond Count: 0
- Complexity: 453
- 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: 3.4
- Topological Polar Surface Area: 138?2
Naphthalene, 1,8-dimethyl-2,4,5-trinitro- Related Literature
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
54559-00-1 (Naphthalene, 1,8-dimethyl-2,4,5-trinitro-) Related Products
- 881-03-8(2-Methyl-1-nitronaphthalene)
- 2124-47-2(2,4-Dimethyl-5-nitroaniline)
- 603-83-8(2-methyl-3-nitro-aniline)
- 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
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Henan Dongyan Pharmaceutical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
