1-Chloro-3-mercaptopropan-2-ol

CAS 6478-04-2 MFCD06478042

化学结构图

6478-04-2
SMILES: OC(CS)CCl

化学属性

Mol. FormulaC3H7ClOS
Mol. Weight126.61

别名和识别编码

Synonym 1-chloro-3-mercaptopropan-2-ol 1-Chloro-3-mercapto-2-propanol (R,S)-1-Chloro-3-mercapto-propan-2-ol R,S-1-Chloro-3-mercapto-propan-2-ol
InChIKeyVHPMKWNWJJDEEC-UHFFFAOYSA-N
Chemical Name2-Propanol, 1-chloro-3-mercapto-
CAS Number6478-04-2
Beilstein Registry Number1732056
PubChem Substance ID110861
InChIInChI=1S/C3H7ClOS/c4-1-3(5)2-6/h3,5-6H,1-2H2
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分类

  • {uni_hamburg} no charge; alcohol; thiol; racemate; 1fragment

相关文献及参考

  • Short: III/35C1 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts and Coupling Constants for Hydrogen-1, Part 1: Aliphatic and Aromatic Hydrocarbons, Steroids, Carbohydrates Author: Gupta, R.R.; Jain, M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35C1 Year: 2000 ISBN: 3-540-66780-6 ISBN: 978-3-540-66780-3 Internet Resource: DOI:10.1007/b60149 RefComment: VII, 310 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), and carbon-13 (subvol. D) 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: EINECS Title: EINECS (European Inventory of Existing Commercial Chemical Substances) Source: Official Journal of the European Communities Volume: C 146 A (15.06.1990) Page: 1 Year: 1990 Internet Resource: http://ecb.jrc.ec.europa.eu/esis/index.php?PGM=ein Publish_Date: 1990/06/15

安全信息

RTECSUA9110000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 300 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique.
   (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France)
   V.9-    1974-  Volume(issue)/page/year: 17,235,1982

系列性分类

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