2,3-喹噁啉二硫醇 | 1199-03-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 2,3-喹噁啉二硫醇
• 中文别名: 2,3-喹喔啉二硫杂环戊二烯
• 英文名称: Quinoxaline-2,3-dithiol
• 英文别名: quinoxaline-2,3-dithiole；1,4-dihydroquinoxaline-2,3-dithione
• CAS: 1199-03-7
• 化学式: C₈H₆N₂S₂
• mdl: MFCD01026087
• 分子量: 194.281
• InChiKey: YFBUDXNMBTUSOC-UHFFFAOYSA-N

物化性质

• 熔点：
  345°C
• 沸点：
  333.6±25.0 °C(Predicted)
• 密度：
  1.3190 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  88.2
• 氢给体数：
  2
• 氢受体数：
  2

ADMET

毒理性

• 副作用

其他毒物 - 化学窒息剂

Other Poison - Chemical Asphyxiant

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

安全信息

• 海关编码：
  2933990090

SDS

Name:	2 3-Quinoxalinedithiol Material Safety Data Sheet
Synonym:	2,3-Quinoxalinethiol; 2,3-Quinoxalinedithione, 1,4-Dihydro-
CAS:	1199-03-7

Section 1 - Chemical Product MSDS Name:2 3-Quinoxalinedithiol Material Safety Data Sheet
Synonym:2,3-Quinoxalinethiol; 2,3-Quinoxalinedithione, 1,4-Dihydro-

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
1199-03-7	2,3-Quinoxalinedithiol	ca. 100%	214-841-8

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 1199-03-7: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 345 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H6N2S2
Molecular Weight: 194.28

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen, sulfur oxides (SOx), including sulfur oxide and sulfur dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 1199-03-7: VD2450000 LD50/LC50:
Not available.
Carcinogenicity:
2,3-Quinoxalinedithiol - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 1199-03-7: No information available.
Canada
CAS# 1199-03-7 is listed on Canada's NDSL List.
CAS# 1199-03-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1199-03-7 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2,3-喹噁啉二硫醇 在 sodium 作用下， 以 甲醇 、 氯仿 为溶剂， 反应 7.5h， 生成 C₁₆H₈N₄NiS₄^(2-)*2C₁₆H₂₁N₂⁽¹⁺⁾
  参考文献：
  名称：

  Importance of alkyl chain-length on the self-assembly of new Ni(qdt)2 complexes and charge transport properties

  摘要：

  我们已经合成了一系列离子复合物，其中阳离子由（[Ni(qdt)2]2-）和烷基取代的不对称紫精衍生物（AV+）组成，并对其进行了表征。AV+的烷基链长度稍有变化就会改变阳离子-阴离子的堆积方式，并导致这些复合物的电荷传输特性不同。在这里，我们通过改变阳离子的结构，建立了Ni(qdt)2复合物的结构-性质关系。

  DOI：

  10.1039/c3ra41633j
• 作为产物：
  描述：

  quinoxaline-2,3-dione 在 硫脲 、 三氯氧磷 作用下， 以 乙醇 为溶剂， 反应 0.14h， 生成 2,3-喹噁啉二硫醇
  参考文献：
  名称：

  喹喔啉衍生的糖基化和吗啡基化类似物的高效多样方法

  摘要：

  硫烷基-糖苷已经由2,3-二巯（的反应，合成1）在碱存在下acetohalo糖以得到硫代糖苷衍生的喹喔啉5，6，7和9。类似地，无环类似物23，24，25，26，通过的偶合制备的1具有不同acyclo烷化剂。的3-吗啉基-喹喔啉的制备10和11允许的合成3- glycosylsulfanyl -2-吗啉基-喹喔啉12，13，14和17，以及无环类似物27，28，29。结果证明，与常规方法相比，反应物的微波辐照是优选的，以实现合成目的。这项研究为合成各种喹喔啉衍生物提供了可利用的场所。J.杂环化​​学.2011。

  DOI：

  10.1002/jhet.496

文献信息

• [EN] A THIONATION PROCESS AND A THIONATING AGENT<br/>[FR] PROCÉDÉ DE THIONATION ET AGENT DE THIONATION
  申请人：VIRONOVA AB

  公开号：WO2012104415A1

  公开（公告）日：2012-08-09

  A process for transforming a group >C=O (I) in a compound into a group >C=S (II) or into a tautomeric form of group (II) in a reaction giving a thionated reaction product, by use of crystalline P2S5·2 C5H5N as a thionating agent. A thionating agent which is crystalline P2S5·2 C5H5N

  将化合物中的一个羰基团（I）转化为一个硫代羰基团（II）或在给出硫代反应产物的反应中将其转化为羰基团（II）的互变异构形式的过程，通过使用晶体P2S5·2 C5H5N作为硫代试剂。一种晶体P2S5·2 C5H5N作为硫代试剂
• A thionation process and a thionating agent
  申请人：Vironova AB

  公开号：EP2484655A1

  公开（公告）日：2012-08-08

  A process for transforming a group >C=O (I) in a compound into a group >C=S (II) or into a tautomeric form of group (II) in a reaction giving a thionated reaction product, by use of crystalline P2S5·2 C5H5N as a thionating agent. A thionating agent which is crystalline P2S5·2 C5H5N.

  将化合物中的一个羰基 >C=O (I) 转化为一个硫代基 >C=S (II) 或者转化为羰基 (II) 的互变异构体，从而在反应中生成一种硫代反应产物的过程，使用晶体 P2S5·2 C5H5N 作为硫代试剂。一种晶体 P2S5·2 C5H5N 的硫代试剂。
• Heterocyclic Amplifiers of Phleomycin. IX. Some Derivatives of Fused and Unfused Mono- and Di-aza Heterocycles
  作者：GB Barlin、SJ Ireland

  DOI：10.1071/ch9851685

  日期：——

  Some mono- and bis-dimethylaminoethylthio, dimethylaminopropylthio and carbamoylmethylthio derivatives of pyridine, pyridazine , 1,3,4- thiadiazole , thiazoline , quinoline , quinoxaline , quinazoline , phthalazine , 6-nitrobenzothiazole and benzimidazo [1,2-c] quinazoline have been prepared for testing as amplifiers of phleomycin. These compounds showed relatively low activity; the highest activity was shown by 4-(2′-dimethylaminoethylthio) quinoline at three star, but a number were antibacterial under the test conditions.

  制备了吡啶、哒嗪、1,3,4-噻二唑、噻唑啉、喹啉、喹喔啉、喹唑啉、酞嗪、6-硝基苯并噻唑和苯并咪唑并[1,2-c]喹唑啉的一些单二甲胺基乙硫基、二甲胺基丙硫基和氨基甲酰甲硫基衍生物，并将其作为弗来霉素的放大剂进行试验。这些化合物的活性相对较低；4-（2′-二甲氨基乙硫基）喹啉的活性最高，为 3 星，但在试验条件下，一些化合物具有抗菌作用。
• [EN] AZETIDINE-SUBSTITUTED QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS DE PIPÉRIDINE DE TYPE QUINOXALINE SUBSTITUÉE PAR UNE AZÉTIDINE ET LEURS UTILISATIONS
  申请人：PURDUE PHARMA LP

  公开号：WO2013080036A1

  公开（公告）日：2013-06-06

  The disclosure relates to Azetidine-Substituted Quinoxaline-Type Piperidine Compounds of Formula (I): and pharmaceutically acceptable derivatives thereof wherein the R1, R2, R3, Q, Y1, Z, A, B, a, and b are as defined herein, compositions comprising an effective amount of an Azetidine-Substituted Quinoxaline-Type Piperidine Compound, and methods to treat or prevent a condition, such as pain, comprising administering to an animal in need thereof an effective amount of an Azetidine-Substituted Quinoxaline-Type Piperidine Compound.

  该披露涉及公式(I)的氮杂环丙烷取代喹喔啉型哌啶化合物及其药用可接受的衍生物，其中R1、R2、R3、Q、Y1、Z、A、B、a和b如本文所定义，包含有效量氮杂环丙烷取代喹喔啉型哌啶化合物的组合物，以及治疗或预防疾病（如疼痛）的方法，包括向需要的动物施用有效量氮杂环丙烷取代喹喔啉型哌啶化合物。
• Dye Sensitization of Nanocrystalline Titanium Dioxide with Square Planar Platinum(II) Diimine Dithiolate Complexes
  作者：Ashraful Islam、Hideki Sugihara、Kohjiro Hara、Lok Pratap Singh、Ryuzi Katoh、Masatoshi Yanagida、Yoshiaki Takahashi、Shigeo Murata、Hironori Arakawa、Gaku Fujihashi

  DOI：10.1021/ic010391y

  日期：2001.10.1

  anchored to nanocrystalline titanium dioxide electrodes for light-to-electricity conversion in regenerative photoelectrochemical cells with an I(-)/I(-)(3) acetonitrile electrolyte. The intense mixed-Pt/dithiolate-to-diimine charge-transfer absorption bands in this series could be tuned from 440 to 580 nm by choosing appropriate dithiolate ligands, and the highest occupied molecular orbitals varied by more

  一系列一般类型为Pt（NN）（SS）的铂基敏化剂，其中NN为4,4'-二羧基-2,2'-联吡啶（dcbpy）或4,7-二羧基-1,10-菲咯啉（dcphen），SS是2-氰基-3,3-二巯基丙烯酸乙酯（ecda），喹喔啉-2,3-二硫代硫酸盐（qdt），1,2-二硫代苯二磺酸盐（bdt）或3,4-甲苯二硫代硫酸盐（tdt）已合成了具有各种基态氧化电位的，并将其固定在纳米晶二氧化钛电极上，用于具有I（-）/ I（-）（3）乙腈电解质的再生光电化学电池中的光电转换。通过选择合适的二硫醇盐配体，可以将该系列中强烈的Pt /二硫醇盐至二亚胺盐的电荷转移混合吸收带调整为440 nm至580 nm，最高占据的分子轨道变化超过500 mV。Pt（dcphen）（bdt）配合物的分光光度滴定显示基态pK（a）值为3.2 +/- 0.1，这可以归因于dcphen配体的羧酸酯基的质子化。使用Langmuir吸