1,3-Propanediol cyclic sulfate 1,3-丙二醇硫酸环酯
CAS 1073-05-8 MFCD00801144
化学结构图
SMILES: O=S1(=O)OCCCO1
化学属性
| Mol. Formula | C3H6O4S |
|---|---|
| Mol. Weight | 138.14 |
| Melting Point | 58-62 °C |
| Boiling Point | 153 °C at 14 mmHg |
别名和识别编码
| Chemical Name | 1,3-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 |
| MDL Number | MFCD00801144 |
| PubChem Substance ID | 70623 |
| CAS Number | 1073-05-8 |
| EC Number | 214-022-5 |
| Chemical Name Translation | 1,3-丙二醇硫酸环酯 |
| Reaxys-RN | 774775 |
| Wiswesser Line Notation | T6OSWOTJ |
| Beilstein Registry Number | 0774775 |
| LabNetwork Molecule ID | LN01286676 |
| InChI | InChI=1S/C3H6O4S/c4-8(5)6-2-1-3-7-8/h1-3H2 |
| Canonical SMILES | O=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
GHS Symbol
- P281 Use personal protective equipment as required. 使用所需的个人防护装备。
- H351 Suspected of causing cancer 怀疑致癌
- S36 Wear suitable protective clothing 穿戴适当的防护服；
- S22 Do not breathe dust 不要吸入粉尘；
- 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
