1-Bromo-1-nitroethane

CAS 563-97-3 MFCD00053615

化学结构图

563-97-3
SMILES: CC(Br)[N+](=O)[O-]

化学属性

Mol. FormulaC2H4BrNO2
Mol. Weight153.98

别名和识别编码

Chemical NameEthane, 1-bromo-1-nitro-
Synonym Ethane, 1-bromo-1-nitro- (R,S)-1-Bromo-1-nitro-ethane 1-Bromo-1-nitroethane
Wiswesser Line NotationWNYE1
CAS Number563-97-3
Beilstein Registry Number1743688
InChIKeyAMGDESQTWHNCTP-UHFFFAOYSA-N
PubChem Substance ID11253
InChIInChI=1S/C2H4BrNO2/c1-2(3)4(5)6/h2H,1H3
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分类

  • {uni_hamburg} no charge; racemate; 1fragment

相关文献及参考

  • 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

RTECSKH6620000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 10300 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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