1,3,2-Dioxathiolane 2,2-Dioxide 1,3,2-二噁唑噻吩-2,2-二氧化物

CAS 1072-53-3 MFCD00221769

化学结构图

1072-53-3
SMILES: O=S1(=O)OCCO1

化学属性

Mol. FormulaC2H4O4S
Mol. Weight124.12
Melting Point95-97°C
Boiling Point231.1°C at 760 mmHg

别名和识别编码

Chemical Name1,3,2-Dioxathiolane 2,2-Dioxide
MDL NumberMFCD00221769
PubChem Substance ID14075
CAS Number1072-53-3
Synonym 1,3,2-Dioxathiolane 2,2-dioxide {LY} 1,3,2-Dioxathiolane 2,2-dioxide {} {LY} 1,3,2-Dioxathiolane 2,2-dioxide {} {} {LY} 1,3,2-Dioxathiolane 2,2-dioxide {} {} {} {LY} 1,3,2-Dioxathiolane 2,2-dioxide {} {} {} {} {LY} 1,3,2-Dioxathiolane 2,2-dioxide {} {} {} {} {} {LY} 1,3,2-Dioxathiolane 2,2-dioxide {} {} {} {} {} {} {LY} 1,3,2-Dioxathiolane 2,2-dioxide {} {} {} {} {} {} {} {LY} 1,3,2-Dioxathiolane 2,2-dioxide {} {} {} {} {} {} {} {} {LY} 1,3,2-Dioxathiolane 2,2-dioxide {} {} {} {} {} {} {} {} {} {LY} 1,3,2-Dioxathiolane 2,2-dioxide {} {} {} {} {} {} {} {} {} {} {LY} 1,3,2-Dioxathiolane 2,2-dioxide {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3,2-Dioxathiolane 2,2-dioxide {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3,2-Dioxathiolane 2,2-dioxide {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3,2-Dioxathiolane 2,2-dioxide {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 1,3,2-Dioxathiolane 2,2-dioxide {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation1,3,2-二噁唑噻吩-2,2-二氧化物
Reaxys-RN1237731
Beilstein Registry Number19
InChIKeyZPFAVCIQZKRBGF-UHFFFAOYSA-N
Wiswesser Line NotationT5OSWOTJ
LabNetwork Molecule IDLN00009388
InChIInChI=1S/C2H4O4S/c3-7(4)5-1-2-6-7/h1-2H2
Canonical SMILESO=S1(OCCO1)=O
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分类

  • {SNA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Other Heterocyclic Building Blocks, S-Containing
  • {SA} Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks, Others, S-Containing
  • {uni_hamburg} no charge; oxygen heterocycle; sulfur heterocycle; alicycle; 5ring; 1fragment
  • Building Blocks, Chemical Synthesis, Heterocyclic Building Blocks,

相关文献及参考

  • Beil. 1 ,III,2110
  • 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/5a Title: Structure Data of Organic Crystals: C ... C 13 Author: Schudt, E.; Weitz, G. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: III/5a Year: 1971 ISBN: 3-540-05177-5 ISBN: 978-3-540-05177-0 Internet Resource: DOI:10.1007/b19970 RefComment: XXI, 736 pages, and VII, 890 pages. Hardcover Abstract: Volume III/5 offers a compitation as complete as possible of the space groups and lattice con-stants of all crystals which have been studied by means of X-rays, neutron and electron diffraction.

安全信息

WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Storage condition 2-8°C, stored under nitrogen {LY} 2-8°C, stored under nitrogen {} {LY} 2-8°C, stored under nitrogen {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
RTECSJH4800000 
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 840 mg/kg/42W-I
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Tumorigenic - tumors at site of application
REFERENCE :
   JNCIAM Journal of the National Cancer Institute.  (Washington, DC)  V.1-60,
   1940-78.  For publisher information, see JJIND8.  Volume(issue)/page/year:
   53,695,1974

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 128 mg/kg/64W-I
TOXIC EFFECTS :
   Tumorigenic - equivocal tumorigenic agent by RTECS criteria
   Tumorigenic - tumors at site of application
REFERENCE :
   JNCIAM Journal of the National Cancer Institute.  (Washington, DC)  V.1-60,
   1940-78.  For publisher information, see JJIND8.  Volume(issue)/page/year:
   53,695,1974

TYPE OF TEST            : Host-mediated assay
TEST SYSTEM             : Rodent - mouse Bacteria - Salmonella typhimurium
DOSE/DURATION           : 5 mmol/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           : 1 umol/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

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
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Organic Sulfates/Sulfites - Sulfur Compounds
  1. Functional Group 官能团索引
  2. sulfuric acid diester

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