1-Bromo-1,1-dinitroethane

CAS 5432-38-2 MFCD N/A

化学结构图

5432-38-2
SMILES: CC(Br)([N+](=O)[O-])[N+](=O)[O-]

化学属性

Mol. FormulaC2H3BrN2O4
Mol. Weight198.98

别名和识别编码

Synonym 1-Bromo-1,1-dinitro-ethane Ethane, 1-bromo-1,1-dinitro- 1-Bromo-1,1-dinitroethane
InChIKeyOQEQLVCWFCJMAT-UHFFFAOYSA-N
Chemical NameEthane, 1-bromo-1,1-dinitro-
Wiswesser Line NotationWNXE1&NW
CAS Number5432-38-2
Beilstein Registry Number1768474
PubChem Substance ID21568
InChIInChI=1S/C2H3BrN2O4/c1-2(3,4(6)7)5(8)9/h1H3
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分类

  • {uni_hamburg} no charge; 1fragment

相关文献及参考

  • Short: III/20b Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei Cl ... Rb Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20b Year: 1988 Keyword: NQR ISBN: 3-540-18483-X ISBN: 978-3-540-18483-6 Internet Resource: DOI:10.1007/b86664 RefComment: IX,717 pages. Hardcover Abstract: Nuclear Quadrupole Resonance Spectroscopy has become a standard method for structural research in molecular and solid state physics as well as for different branches of chemistry. The volumes cover data for more than 8,000 substances in the solid state. Data for free molecules have been published in volumes II/14 and II/15 of the New Series. The tables are arranged according to the atomic number of the elements.
  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.

安全信息

RTECSKH6600000
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 21200 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   KHFZAN Khimiko-Farmatsevticheskii Zhurnal.  Chemical Pharmaceutical Journal.
    For English translation, see PCJOAU.  (V/O Mezhdunarodnaya Kniga, 113095
   Moscow, USSR)  V.1-    1967-  Volume(issue)/page/year: 10(6),53,1976

系列性分类


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