6,7-硝基喹喔啉 | 68836-13-5

• 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: 6,7-硝基喹喔啉
• 英文名称: 6,7-dinitroquinoxaline
• 英文别名: 6,7-dinitro-quinoxaline；6,7-Dinitrochinoxalin
• CAS: 68836-13-5
• 化学式: C₈H₄N₄O₄
• mdl: MFCD00067070
• 分子量: 220.144
• InChiKey: MRCFKNAXRGITFV-UHFFFAOYSA-N

物化性质

• 熔点：
  188-191 °C
• 沸点：
  361.07°C (rough estimate)
• 密度：
  1.5881 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  16
• 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：
  117
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 危险品标志：
  Xn

SDS

Name:	6 7-Dinitroquinoxaline 99% Material Safety Data Sheet
Synonym:
CAS:	68836-13-5

Section 1 - Chemical Product MSDS Name:6 7-Dinitroquinoxaline 99% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
68836-13-5	6,7-Dinitroquinoxaline, 99%	99%	unlisted

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:
The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation.
Chronic:
Not available.

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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:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. Get medical aid if cough or other symptoms appear.
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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical 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.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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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.
Exposure Limits CAS# 68836-13-5: Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear a chemical apron.
Respirators:
A NIOSH/MSHA approved air purifying dust or mist respirator or European Standard EN 149.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: slightly yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 188 - 190 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H4N4O4
Molecular Weight: 220.14

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
None reported.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 68836-13-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
6,7-Dinitroquinoxaline, 99% - Not listed by ACGIH, IARC, or NTP.

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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# 68836-13-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 68836-13-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 68836-13-5 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  6,7-硝基喹喔啉 在 盐酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以75%的产率得到6,7-二氯喹喔啉
  参考文献：
  名称：

  The Four 6-Halo-7-nitroquinoxalines

  摘要：

  DOI：

  10.3987/r-1987-09-2433

文献信息

• Plant glutamate receptors
  申请人：New York University.

  公开号：US20030022305A1

  公开（公告）日：2003-01-30

  The present invention relates to a family of GluR in plants, including ionotropic (iGluR), metabotropic (mGluR) and other glutamate-like plant receptors. The plant GluRs of the invention may function as signal transducers involved in the regulation of plant growth. The invention also relates to the identification of compounds that modulate the activity of the plant GluR, and the use of such compounds as plant growth regulators, including herbicides.

  本发明涉及植物中的 GluR 家族，包括离子型（iGluR）、代谢型（mGluR）和其他谷氨酸类植物受体。本发明的植物 GluRs 可作为信号转换器参与植物生长的调控。本发明还涉及调节植物 GluR 活性的化合物的鉴定，以及此类化合物作为植物生长调节剂（包括除草剂）的用途。
• C–H-Activated Direct Arylation of Strong Benzothiadiazole and Quinoxaline-Based Electron Acceptors
  作者：Junxiang Zhang、Timothy C. Parker、Wayne Chen、LaRita Williams、Victor N. Khrustalev、Evgheni V. Jucov、Stephen Barlow、Tatiana V. Timofeeva、Seth R. Marder

  DOI：10.1021/acs.joc.5b02551

  日期：2016.1.15

  Electron acceptors are important components of p-conjugated materials, but the strong electron-withdrawing properties of the required synthetic intermediates often make them poor substrates in synthetic schemes designed around conventional organometallic cross-coupling. Here, strong benzodiimine-based acceptors, including 5,6-difluoro[2,1,3]benzothiadiazole, 5,6-dicyano[2,1,3]benzothiadiazole, 5,6-dicyanobenzo[d][1,2,3]triazole, 6,7-dicyanoquinoxaline, and 6,7-dinitroquinoxaline, are shown to undergo facile palladium-catalyzed C-H direct arylation with a variety of bromoarenes in moderate to high yields. The electrochemical characteristics of di-2-thienyl derivatives synthesized using this methodology are compared and suggest that, in an electron-transfer sense, 5,6-dicyano[2,1,3]benzothiadiazole is a comparably strong acceptor to benzo[1,2-c:4,5-c']bis[1,2,5]thiadiazole. The synthetic results suggest that high electron-withdrawing ability, which has traditionally limited reaction yields and structural variety in organic electronic materials, may be advantageous when employing C-H activated direct arylation in certain circumstances.
• Nasielski-Hinkens, Raymonde; Benedek-Vamos, Marie; Maetens, Daniel, Journal of Heterocyclic Chemistry, 1980, vol. 17, p. 873 - 876
  作者：Nasielski-Hinkens, Raymonde、Benedek-Vamos, Marie、Maetens, Daniel

  DOI：——

  日期：——
• NASIELSKI-HINKENS R.; BENEDEK-VAMOS M.; MAETENS D., J. HETEROCYCL. CHEM., 1980, 17, NO 5, 873-876
  作者：NASIELSKI-HINKENS R.、 BENEDEK-VAMOS M.、 MAETENS D.

  DOI：——

  日期：——
• EP0877547A4
  申请人：——

  公开号：EP0877547A4

  公开（公告）日：2003-07-02