2-Methyl-1,3-Dithiane 2-甲基-1,3-二噻烷

CAS 6007-26-7 MFCD00014652

化学结构图

6007-26-7
SMILES: CC1SCCCS1

化学属性

Mol. FormulaC5H10S2
Mol. Weight134
Density1.121 g/mL at 25 °C(lit.)
Boiling Point56-59 °C/3 mmHg(lit.)
Refractive indexn20/D 1.560(lit.)
Flash Point82°(179°F)
TSCANo

别名和识别编码

Chemical Name2-Methyl-1,3-Dithiane
MDL NumberMFCD00014652
PubChem Substance ID22329
Beilstein Registry Number102766
CAS Number6007-26-7
EC Number227-859-6
Synonym Methyl-2 dithiane-1,3 2-methyl-(1,3)dithiane m-Dithiane, 2-methyl- 2-Methyl-1,3-dithiane 98% {uni_hamburg} 2-METHYL-1,3-DITHIANE 1,3-Dithiane, 2-methyl- 2-methyl-m-dithian methyl-2dithiane-1,3 2-Methyl-m-dithiane Acetaldehyde, cyclic trimethylene mercaptal 2-Methyl-[1,3]dithiane 2-甲基-1,3-二噻烷 2-methyl-1,3-dithiane m-Dithiane, 2-methyl- 2-methyl-3-dithiane
Alfabeta NameMETHYLDITHIANE 213---,
Chemical Name Translation2-甲基-1,3-二噻烷
InChIKeyKXROTPXCYDXGSC-UHFFFAOYSA-N
LabNetwork Molecule IDLN00185826
InChIInChI=1S/C5H10S2/c1-5-6-3-2-4-7-5/h5H,2-4H2,1H3
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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, S-Containing
  • {uni_hamburg} no charge; sulfur heterocycle; alicycle; 6RingOnly; 6ring; 1fragment

相关文献及参考

  • 1. Smith, A. B., III; Xian, M. J. Am. Chem. Soc. 128 , 66, (2006) 摘要
  • Beil. 19 ,V,1,53
  • FT-IR 2 (1), 436:A / FT-NMR 1 (1), 435:B / RegBook 1 (1), 289:E / Structure Index 1 , 40:C:3
  • Short: III/35D3 Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Carbon-13, Part 3: Heterocycles Author: Gupta, R.R.; Jain, M.; Lechner, M.D.; Mikhova, B.M. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35D3 Year: 2007 Keyword: C-13; NMR; carbon-13; chemical shifts; coupling constants; heterocycles; nuclear magnetic resonance ISBN: 978-3-540-29731-4 ISBN: 3-540-29731-6 Internet Resource: DOI: 10.1007/978-3-540-47067-0 RefComment: VIII, 342 p., 1 illus., Hardcover RefComment: Written for Science and engineers in the fields of physics, chemistry and physical chemistry who inted to use NMR to study the structure and the binding of molecules Abstract: Nuclear Magnetic Resonance (NMR) is based on the fact that certain nuclei exhibit a magnetic moment, orient by a magnetic field, and absorb characteristic frequencies in the radiofrequency part of the spectrum. NMR is now a leading technique and a powerful tool for the investigation of the structure and interaction of molecules. The present Landolt-Börnstein volume III/35 Nuclear Magnetic Resonance (NMR) Data is therefore of major interest to all scientists and engineers who use NMR to study the structure and the binding of molecules. Volume III/35 "NMR-Data" is divided into several subvolumes and parts. Subvolume III/35A contains the nuclei B-11 and P-31, subvolume III/35B contains the nuclei F-19 and N-15, subvolume III/35C contains the nucleus H-1, subvolume III/35D contains the nucleus C-13, subvolume III/35E contains the nucleus O-17, and subvolume III/35G contains the nucleus Se-77. More nuclei are planned for future volumes.
  • Short: EINECS Title: EINECS (European Inventor

安全信息

RTECSJO5263000
WGK Germany3
Personal Protective Equipment Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Safety Statements
  • S23 Do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) 不要吸入气体/烟雾/蒸汽/喷雾;
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触;
Warnings IRRITANT
UN Number 3334
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1200 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: 19,461,1984

其他信息

  • Alfa Aesar:2-甲基-1,3-二噻烷,98% 2-Methyl-1,3-dithiane, 98%(6007-26-7)
  • 上游原料:氢氧化钠 --> 盐酸 --> 二氯甲烷 --> 硫酸钠 --> 苯 --> 三氟化硼乙醚 --> 乙醛 --> 1,3-丙二硫醇
  • MOL 文件:6007-26-7.mol
  • Sigma Aldrich:6007-26-7(sigmaaldrich)
  • 2-甲基-1,3-二噻烷价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/05/25 L00209 2-甲基-1,3-二噻烷, 98% 2-Methyl-1,3-dithiane, 98% 5g 585元 2010/05/25 L00209 2-甲基-1,3-二噻烷, 98% 2-Methyl-1,3-dithiane, 98% 25g 2422元 2010/05/25 L00209 2-甲基-1,3-二噻烷, 98% 2-Methyl-1,3-dithiane, 98% 1g 182元

系列性分类


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