1,3-Propanediol cyclic sulfate 1,3-丙二醇硫酸环酯

CAS 1073-05-8 MFCD00801144

化学结构图

1073-05-8
SMILES: O=S1(=O)OCCCO1

化学属性

Mol. FormulaC3H6O4S
Mol. Weight138.14
Melting Point58-62 °C
Boiling Point153 °C at 14 mmHg

别名和识别编码

Chemical Name1,3-Propanediol cyclic sulfate
Synonym 1,3-Propanediol cyclic sulfate {LY} 1,3-Propanediol cyclic sulfate {} {LY} 1,3-Propanediol cyclic sulfate {} {} {LY} 1,3-Propanediol cyclic sulfate {} {} {} {LY} 1,3-Propanediol cyclic sulfate {} {} {} {} {LY} 1,3-Propanediol cyclic sulfate {} {} {} {} {} {LY} 1,3-Propanediol cyclic sulfate {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Propanediol cyclic sulfate {} {} {} {} {} {} {} {LY} 1,3-Propanediol cyclic sulfate {} {} {} {} {} {} {} {} {LY} 1,3-Propanediol cyclic sulfate {} {} {} {} {} {} {} {} {} {LY} 1,3-Propanediol cyclic sulfate {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Propanediol cyclic sulfate {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Propanediol cyclic sulfate {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Propanediol cyclic sulfate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Propanediol cyclic sulfate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Propanediol cyclic sulfate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3-Propanediol cyclic
MDL NumberMFCD00801144
PubChem Substance ID70623
CAS Number1073-05-8
EC Number214-022-5
Chemical Name Translation1,3-丙二醇硫酸环酯
Reaxys-RN774775
Wiswesser Line NotationT6OSWOTJ
Beilstein Registry Number0774775
LabNetwork Molecule IDLN01286676
InChIInChI=1S/C3H6O4S/c4-8(5)6-2-1-3-7-8/h1-3H2
Canonical SMILESO=S1(=O)OCCCO1
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Other Heterocyclic Building Blocks, S-Containing
  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Others, S-Containing
  • Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Others,

相关文献及参考

  • Beil. 1 ,III,2161
  • 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: 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

WGK Germany3
GHS Symbol
Precautionary statements
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
Signal word Warning
Hazard statements
  • H351 Suspected of causing cancer 怀疑致癌
Hazard Codes Xn
RTECSTY4560000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S22 Do not breathe dust 不要吸入粉尘；
Risk Statements
  • R40 Limited evidence of a carcinogenic effect 有限证据表明其致癌作用
TYPE OF TEST            : Host-mediated assay
TEST SYSTEM             : Rodent - mouse Bacteria - Salmonella typhimurium
DOSE/DURATION           : 10 umol/kg
REFERENCE :
   CBINA8 Chemico-Biological Interactions.  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1969-  Volume(issue)/page/year:
   19,241,1977

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 100 nmol/plate
REFERENCE :
   CBINA8 Chemico-Biological Interactions.  (Elsevier Scientific Pub. Ireland
   Ltd., POB 85, Limerick, Ireland)  V.1-    1969-  Volume(issue)/page/year:
   19,241,1977

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Microorganism - not otherwise specified
DOSE/DURATION           : 690 ug/plate
REFERENCE :
   BIZNAT Biologisches Zentralblatt.  (VEB Georg Thieme, Postfach 946, Leipzig
   DDR-7010, Ger. Dem. Rep.) V.1-    1881-  Volume(issue)/page/year:
   95,463,1976

Storage condition Store at room temperature {LY} Store at room temperature {} {LY} Store at room temperature {} {} {LY} Store at room temperature {} {} {} {LY} Store at room temperature {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Store at room temperature {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Others 其他杂环
  5. S-Containing - Others

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