1-Chloro-1-nitroethane 1-氯-1-硝基乙烷

CAS 598-92-5 MFCD00053616

化学结构图

598-92-5
SMILES: CC(Cl)[N+](=O)[O-]

化学属性

Mol. FormulaC2H4ClNO2
Mol. Weight109.52
Solubility不溶于水,溶于醇。

别名和识别编码

Chemical NameEthane, 1-chloro-1-nitro-
Synonym (R,S)-1-Chloro-1-nitro-ethane 1-CHLORO-1-NITROETHANE 1-Chloro-1-nitroethane 1-Chloronitroethane 1-chloro-1-nitro-ethan 1-chloro-1-nitro-ethane 1-chloro-1-nitroethane 1-氯-1-硝基乙烷 CHLORONITROETHANE Ethane, 1-chloro-1-nitro-
Chemical Name Translation1-氯-1-硝基乙烷
CAS Number598-92-5
InChIKeyLPIWIOBGUAPNQW-UHFFFAOYSA-N
Wiswesser Line NotationWNYG1
Beilstein Registry Number1743285
LabNetwork Molecule IDLN04684148
PubChem Substance ID61149
InChIInChI=1S/C2H4ClNO2/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/20a Title: Nuclear Quadrupole Resonance Spectroscopy Data: Nuclei D ... Cl Author: Chihara, H.; Nakamura, N. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/20a Year: 1988 Keyword: NQR ISBN: 3-540-18161-X ISBN: 978-3-540-18161-3 Internet Resource: DOI:10.1007/b31153 RefComment: IX,677 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.
  • Short: III/38B Title: Refractive Indices of Organic Liquids Author: Wohlfarth, Ch.; Wohlfa

安全信息

RTECSKH7875000
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 185 mg/kg
TOXIC EFFECTS :
   Behavioral - general anesthetic
   Behavioral - somnolence (general depressed activity)
REFERENCE :
   HYSAAV Hygiene and Sanitation (USSR).  English translation of GISAAA.
   (Springfield, VA)  1964-71. Discontinued.  Volume(issue)/page/year:
   34(10-12),429,1969

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 620 mg/kg
TOXIC EFFECTS :
   Behavioral - general anesthetic
   Behavioral - somnolence (general depressed activity)
REFERENCE :
   HYSAAV Hygiene and Sanitation (USSR).  English translation of GISAAA.
   (Springfield, VA)  1964-71. Discontinued.  Volume(issue)/page/year:
   34(10-12),429,1969

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - muscle weakness
   Lungs, Thorax, or Respiration - acute pulmonary edema
REFERENCE :
   JIHTAB Journal of Industrial Hygiene and Toxicology.  (Cambridge, MA)
   V.18-31, 1936-49.  For publisher information, see AEHLAU.
   Volume(issue)/page/year: 22,315,1940

TYPE OF TEST            : LC50 - Lethal concentration, 50 percent kill
ROUTE OF EXPOSURE       : Inhalation
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 21 gm/m3/3H
TOXIC EFFECTS :
   Behavioral - general anesthetic
   Behavioral - somnolence (general depressed activity)
REFERENCE :
   HYSAAV Hygiene and Sanitation (USSR).  English translation of GISAAA.
   (Springfield, VA)  1964-71. Discontinued.  Volume(issue)/page/year:
   34(10-12),429,1

其他信息

  • MOL 文件:598-92-5.mol
  • 外观性质:无色液体。

系列性分类


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