bis(ethylenedithio) tetrathiafulvalene-d8 | 101751-48-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二硫醇
• 英文名称: bis(ethylenedithio) tetrathiafulvalene-d8
• 英文别名: Bis(ethylenedithio)tetrathiafulvalene-d8；5,5,6,6-tetradeuterio-2-(5,5,6,6-tetradeuterio-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-[1,3]dithiolo[4,5-b][1,4]dithiine
• CAS: 101751-48-8
• 化学式: C₁₀H₈S₈
• 分子量: 392.638
• InChiKey: LZJCVNLYDXCIBG-SVYQBANQSA-N

物化性质

• 熔点：
  244 °C (decomp)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  202
• 氢给体数：
  0
• 氢受体数：
  8

SDS

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Section I.Chemical Product and Company Identification
Chemical Name Bis(ethylenedithio)tetrathiafulvalene-d8
[Organic Electronic Material]
Portland OR
1,3-Dithiolo[4,5-b][1,4]dithiin-5,6-d2,2-(5,6-dihydro-5,6-
Synonym
d2-1,3-dithiolo[4,5-b][1,4]dithiin-2-ylidene-5,6-d2)-5,6-
dihydro-5,6-d2- (CA INDEX NAME)
Chemical Formula C10D8S8
CAS Number 101751-48-8

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Section II. Composition and Information on Ingredients
CAS Number Percent (%) TLV/PEL Toxicology Data
Chemical Name
Bis(ethylenedithio)tetrathiafulvalene-d8 101751-48-8 Min. 98.0 (T) Not available. Not available.
[Organic Electronic Material]

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Section III. Hazards Identification
Acute Health Effects No specific information is available in our data base regarding the toxic effects of this material for humans. However,
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
this compound.
Chronic Health Effects CARCINOGENIC EFFECTS : Not available.
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.

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Section IV. First Aid Measures
Eye Contact Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15
minutes. Get medical attention.
Skin Contact In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing
before reuse. Thoroughly clean shoes before reuse. Get medical attention.
If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or
Inhalation
waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
improve.
INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
Ingestion
Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic
material was ingested; the absence of such signs, however, is not conclusive.

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Section V. Fire and Explosion Data
Not available.
May be combustible at high temperature. Auto-Ignition
Flammability
Flash Points Flammable Limits Not available.
Not available.
Combustion Products These products include toxic carbon oxides (CO,CO2), sulfur oxides (SOx), heavy water.
Fire Hazards
Not available.
Risks of explosion of the product in presence of mechanical impact: Not available.
Explosion Hazards
Risks of explosion of the product in presence of static discharge: Not available.
Fire Fighting Media SMALL FIRE: Use DRY chemical powder.
and Instructions LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
Consult with local fire authorities before attempting large scale fire-fighting operations.
Continued on Next Page
Bis(ethylenedithio)tetrathiafulvalene-d8
[Organic Electronic Material]

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Section VI. Accidental Release Measures
Spill Cleanup Light sensitive material.
Use a shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any
Instructions
contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on
disposal.

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Section VII. Handling and Storage
Handling and Storage LIGHT SENSITIVE. Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the container and
store in a dry, cool place. Avoid excessive heat and light. Do not breathe dust.
Information
Always store away from incompatible compounds such as oxidizing agents.

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Section VIII. Exposure Controls/Personal Protection
Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below recommended
Engineering Controls
exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to airborne contaminants
below the exposure limit.
Splash goggles. Lab coat. Dust respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a
Personal Protection
specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
Exposure Limits Not available.

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Section IX. Physical and Chemical Properties
Solid. (Crystal, powder. Yellow - deep Solubility
Physical state @ 20°C Not available.
yellow red.)
Not available.
Specific Gravity
Molecular Weight 392.74 Partition Coefficient Not available.
Boiling Point Not available. Not applicable.
Vapor Pressure
Melting Point Not available. Vapor Density Not available.
Not available. Not available.
Refractive Index Volatility
Critical Temperature Not available. Odor Not available.
Not available. Not available.
Viscosity Taste

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Section X. Stability and Reactivity Data
Stability

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This material is stable if stored under proper conditions. (See Section VII for instructions)
Conditions of Instability Avoid excessive heat and light.
Incompatibilities Reactive with oxidizing agents.

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Section XI. Toxicological Information
RTECS Number Not available.
Eye Contact. Ingestion. Inhalation.
Routes of Exposure
Not available.
Toxicity Data
CARCINOGENIC EFFECTS : Not available.
Chronic Toxic Effects
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY: Not available.
Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.
Acute Toxic Effects No specific information is available in our data base regarding the toxic effects of this material for humans. However,
exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling this
compound.

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Section XII. Ecological Information
Ecotoxicity Not available.
Not available.
Environmental Fate
Continued on Next Page
Bis(ethylenedithio)tetrathiafulvalene-d8
[Organic Electronic Material]

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Section XIII. Disposal Considerations
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
Waste Disposal
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
federal, state and local regulations when disposing of the substance.

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Section XIV. Transport Information
DOT Classification Not a DOT controlled material (United States).
PIN Number Not applicable.
Proper Shipping Name Not applicable.
Packing Group (PG) Not applicable.
DOT Pictograms

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Section XV. Other Regulatory Information and Pictograms
TSCA Chemical Inventory This product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40
CFR 720.36 (C) for those products not on the inventory list:
(EPA)
(i) These products are supplied solely for use in research and development by or under the supervision of a technically
qualified individual as defined in 40 CFR 720.0 et sec.
(ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
supplied on an MSDS sheet.
WHMIS Classification Not controlled under WHMIS (Canada).
(Canada)
EINECS Number (EEC) Not available.
EEC Risk Statements Not available.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  bis(ethylenedithio) tetrathiafulvalene-d8 在 碘 作用下， 以 苯甲腈 为溶剂， 生成 ((BEDT-TTF)-d8)I3
  参考文献：
  名称：

  Electron molecular vibration coupling in vibrational spectra of BEDT-TTF based radical cation salts

  摘要：

  DOI：

  10.1016/0584-8539(89)80039-x
• 作为产物：
  描述：

  5,5,6,6-Tetradeuterio-[1,3]dithiolo[4,5-b][1,4]dithiine-2-thione 、 亚磷酸三乙酯 以23%的产率得到
  参考文献：
  名称：

  WANG, HSIEN-HAU;REED, P. E.;WILLIAMS, J. M., SYNTH. MET., 1986, 14, N 3, 165-172

  摘要：

  DOI：

文献信息

• Quasi-two-dimensional organic metals with differently oriented conducting layers
  作者：E. I. Zhilyaeva、O. A. Bogdanova、A. M. Flakina、G. V. Shilov、R. B. Lyubovskii、R. N. Lyubovskaya

  DOI：10.1007/s11172-011-0202-z

  日期：2011.7

  New layered organic conductors based on selenium- and sulfur-containing donor molecules of bis(ethylenedithio)tetraselenafulvalene (BETS) and deuterated bis(ethylenedithio)-tetrathiafulvalene (ET) with tetrahedral anions of divalent metals of the general formula (BETS)4HgBr4(1,2-C6H4Cl2), (ET-d8)4HgBr4(C6H4Cl2) and (ET-d8)4HgBr4(C6H5X) (where X = Cl, Br) were synthesized using halobenzenes as solvents

  基于双（乙二硫）四硒富瓦烯（BETS）和氘化双（乙二硫）-四硫富瓦烯（ET）的含硒和硫供体分子的新型层状有机导体，具有通式（BETS）4HgBr4（1）二价金属的四面体阴离子,2-C6H4Cl2)、(ET-d8)4HgBr4(C6H4Cl2) 和 (ET-d8)4HgBr4(C6H5X)（其中 X = Cl，Br）使用卤代苯作为溶剂合成。在室温下研究了 (BETS)4HgBr4(C6H4Cl2) 的晶体结构。化合物晶体结构的一个显着特征是导电层的交替，其在自由基阳离子堆叠的方向上不同。沿层的电导率具有金属特性，(BETS)4HgBr4(C6H4Cl2) 的温度降低至 4.3 K，ET-d8 基化合物的温度降低至 40-105 K，而在垂直于导电层的方向上，导电性是半导电的。对基于 ET 及其氘代类似物的化合物 (ET)4HgBr4(Solvent)（溶剂为 1,2-C6H4Cl2、C6H5
• MULTISENSOR ARRAY FOR DETECTION OF ANALYTES OR MIXTURES THEREOF IN GAS OR LIQUID PHASE
  申请人：Jeppesen Jan Oskar

  公开号：US20130096030A1

  公开（公告）日：2013-04-18

  The present invention relates to a multisensor array for detection of analytes in the gas phase or in the liquid phase, comprising at least two different chemo-selective compounds represented by the general formula (I) wherein the hetero atoms X 1 -X 4 and the substituents R 1 -R 4 are defined in the specification and the dashed bonds represent independently of each other either a single bond or a double bond. Said chemo-selective compounds are capable of individually changing physicochemical properties when exposed to analytes or analyte mixtures and these changes can be detected by a transducer or an array of transducers. The present invention does also relate to the use of at least two different chemo-selective compounds in a sensor array, a method for preparation of such sensor arrays and the use of said sensor arrays. Furthermore the present invention relates to methods for detecting and identifying analytes or mixtures thereof in the gas phase or in the liquid phase.

  本发明涉及一种多传感器阵列，用于检测气相或液相中的分析物，包括至少两种不同的化学选择性化合物，由一般式（I）表示，其中杂原子X1-X4和取代基R1-R4在说明书中定义，虚线键独立地表示单键或双键。所述化学选择性化合物在暴露于分析物或分析物混合物时能够单独改变物理化学性质，这些变化可以被传感器或传感器阵列检测到。本发明还涉及在传感器阵列中使用至少两种不同的化学选择性化合物，制备这种传感器阵列的方法以及使用该传感器阵列的方法。此外，本发明还涉及检测和鉴定气相或液相中的分析物或混合物的方法。
• Synthesis and crystal structure of the deuterated organic conductor, (d8-ET)4[Hg2(SCN)4Cl2]
  作者：O. A. D'yachenko、S. V. Konovalikhin、G. V. Shilov、R. N. Lyubovskaya、M. Z. Aldoshina、R. B. Lyubovskii

  DOI：10.1007/bf00696920

  日期：1995.5

  On the basis of completely deuterated bis(ethylenedithio)tetrathiafulvalene (d(8)-ET), new organic conductors, (d(8)-ET)(4)[Hg-2(SCN)(4)Cl-2] and (d(8)-ET)(2)[Hg(SCN)(2)Br] have been synthesized and studied by X-ray structural analysis. Unlike nondeuterated organic metals k-(ET)(2)[Hg(SCN)(3-n)X(n)] (X = Cl or Br; n = 1 and 2), the crystal structure of (d(8)-ET)(4)[Hg-2(SCN)(4)Cl-2] exhibits beta-type packing of the d(8)-ET radical cations in the conducting layer and a polymeric structure of anions, in which both the SCN groups and the Cl atoms are involved in the bridging bonds. The crystals of (d(8)-ET)(2)[Hg(SCN)(2)Br] and the nondeuterated form (ET)(2)[Hg(SCN)(2)Br] are isostructural.
• Isotope Effect in the Organic Superconductor κ-(BEDT-TTF)₂Cu[N(CN)₂]Br
  作者：Madoka Tokumoto、Nobumori Kinoshita、Yasumoto Tanaka、Hiroyuki Anzai

  DOI：10.1143/jpsj.60.1426

  日期：1991.4.15
• Komatsu, Tokutaro; Matsukawa, Nozomu; Nakamura, Toshikazu, Phosphorus, Sulfur and Silicon and the Related Elements
  作者：Komatsu, Tokutaro、Matsukawa, Nozomu、Nakamura, Toshikazu、Yamochi, Hideki、Saito, Gunzi、et al.

  DOI：——

  日期：——