cis-1,2-dinitrostilbene | 1796-05-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: cis-1,2-dinitrostilbene
• 英文别名: Z α,β-dinitrostilbene；cis-α,β-Dinitrostilben；cis-α,β-dinitrostilbene；Z-alpha,beta-Dinitrostilbene；[(Z)-1,2-dinitro-2-phenylethenyl]benzene
• CAS: 1796-05-0
• 化学式: C₁₄H₁₀N₂O₄
• 分子量: 270.244
• InChiKey: NQAQCAROZAAHGL-YPKPFQOOSA-N

物化性质

• 熔点：
  108.5°C
• 沸点：
  413.36°C (rough estimate)
• 密度：
  1.2809 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  91.6
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2904209090

SDS

Name:	Z-Alpha Beta-Dinitrostilbene 99.5+% Material Safety Data Sheet
Synonym:	None Known
CAS:	1796-05-0

Section 1 - Chemical Product MSDS Name:Z-Alpha Beta-Dinitrostilbene 99.5+% Material Safety Data Sheet
Synonym:None Known

---

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
1796-05-0	Z-Alpha,Beta-Dinitrostilbene	99.5%	unlisted

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

---

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.

---

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:

---

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:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use agent most appropriate to extinguish fire.

---

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.

---

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.

---

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 general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits.
Exposure Limits CAS# 1796-05-0: 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.

---

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: yellow
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 100.00 - 103.00 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: C14H10N2O4
Molecular Weight: 270.23

---

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.
Hazardous Polymerization: Has not been reported.

---

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 1796-05-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Z-Alpha,Beta-Dinitrostilbene - Not listed by ACGIH, IARC, or NTP.

---

Section 12 - ECOLOGICAL INFORMATION

---

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

---

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.

---

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# 1796-05-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1796-05-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1796-05-0 is not listed on the TSCA inventory.
It is for research and development use only.

---

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  cis-1,2-dinitrostilbene 以 四氯化碳 为溶剂， 生成 trans-1,2-dinitrostilbene
  参考文献：
  名称：

  Dubois, P.; Levillain, P.; Viel, C., Bulletin de la Societe Chimique de France, 1986, # 2, p. 297 - 302

  摘要：

  DOI：
• 作为产物：
  描述：

  trans-1,2-dinitrostilbene 在 cyclooctatetraene dianion bipotassium salt 、 氧气 作用下， 生成 cis-1,2-dinitrostilbene
  参考文献：
  名称：

  Dinitrostilbenes in electron-transfer reactions

  摘要：

  DOI：

  10.1007/bf00925408

文献信息

• Titanium(III) Chloride Mediated Reduction of 1-Nitro-2-phenylethenes
  作者：Akira Sera、Shoji Fukumoto、Masako Tamura、Kiyoshi Takabatake、Hiroaki Yamada、Kuniaki Itoh

  DOI：10.1246/bcsj.64.1787

  日期：1991.6

  nes (β-nitrostyrenes) with aqueous titanium(III) chloride afforded substituted pyrroles in addition to the expected reduction products, oximes and carbonyl compounds. 2-Substituted 1-nitro-2-phenylethenes yielded divinylamine derivatives instead of pyrroles. The reaction mechanism has been rationalized by taking account of the electron transfer from titanium(III) species to the nitro olefins, followed

  除了预期的还原产物、肟和羰基化合物之外，1-硝基-2-苯基乙烯（β-硝基苯乙烯）与氯化钛（III）水溶液的反应还提供取代的吡咯。2-取代的 1-硝基-2-苯基乙烯产生二乙烯基胺衍生物而不是吡咯。通过考虑从钛 (III) 物种到硝基烯烃的电子转移，随后进行质子化、二聚、环化和/或水解，使反应机制合理化。
• Studies on Acetylenic Compounds. XL. The Addition Reaction of Nitrosyl Chloride and Nitryl Chloride to Acetylenic Compounds
  作者：Issei Iwai、Kazuo Tomita、Junya Ide

  DOI：10.1248/cpb.13.118

  日期：——

  The addition reaction of nitryl chloride and nitrosyl chloride with phenyl acetylene (Ia), phenylmethylacetylene (Ib), diphenylacetylene (Ic), 3-phenyl-2-propyn-1-ol alcohol acetate (Id), phenylpropiolic acid (Ie), and ethyl phenylpropiolate (If) was carried out under various conditions which afforded the corresponding chloro-nitroolefins : α-chloro-β-nitrostyrene (trans IIa and cis IIa), 1-chloro-1-phenyl-2-nitro-1-propene-1(IIb), α-chloro-β-nitrostylbene(IIc), 2-nitro-3-chloro-3-phenyl-2-propen-1-ol acetate (IId), α-nitro-β-chlorocinnamic acid (IIe), and ethyl α-nitro-β-chlorocinnamate (IIf) respectively. The geometrical relationship of the isomers of α-chloro-β-nitrostyrene were determined by dipole moments and infrared and ultraviolet spectra.

  在不同条件下，硝酰氯和亚硝酰氯与苯乙炔 (Ia)、苯甲基乙炔 (Ib)、二苯基乙炔 (Ic)、3-苯基-2-丙炔-1-醇乙酸酯 (Id)、苯丙炔酸 (Ie) 和苯丙炔酸乙酯 (If) 发生加成反应，生成相应的氯代硝基烯烃：α-氯-β-硝基苯乙烯（反式 IIa 和顺式 IIa）、1-氯-1-苯基-2-硝基-1-丙烯-1（IIb）、α-氯-β-硝基苯乙烯（IIc）、2-硝基-3-氯-3-苯基-2-丙烯-1-醇乙酸酯（IId）、α-硝基-β-氯肉桂酸（IIe）和α-硝基-β-氯肉桂酸乙酯（IIf）。通过偶极矩、红外光谱和紫外光谱确定了 α-氯-β-硝基苯乙烯异构体的几何关系。
• CARBOCATALYSTS FOR CHEMICAL TRANSFORMATIONS
  申请人：Bielawski Christopher W.

  公开号：US20130123514A1

  公开（公告）日：2013-05-16

  The disclosure relates to catalytically active carbocatalysts, e.g., a graphene oxide or graphite oxide catalyst suitable for use in a variety of chemical transformations. In one embodiment, it relates to a method of catalyzing a chemical reaction of an organic molecule by reacting the organic molecule in the presence of a sufficient amount of graphene oxide or graphite oxide for a time and at a temperature sufficient to allow catalysis of a chemical reaction. According to other embodiments, the reaction may be an oxidation reaction, a hydration reaction, a dehydrogenation reaction, a condensation reaction, or a polymerization reaction. Some reactions may include auto-tandem reactions. The disclosure further provides reaction mixtures containing an organic molecule and graphene oxide or graphite oxide in an amount sufficient to catalyze a reaction of the organic molecule.

  本公开涉及具有催化活性的碳催化剂，例如石墨烯氧化物或氧化石墨烯催化剂，适用于各种化学转化。在一种实施方式中，涉及通过在存在足够量的石墨烯氧化物或氧化石墨烯的情况下，在足够的时间和温度下催化有机分子的化学反应的方法。根据其他实施方式，反应可以是氧化反应、水合反应、脱氢反应、缩合反应或聚合反应。一些反应可能包括自动串联反应。本公开进一步提供含有有机分子和足以催化有机分子反应的石墨烯氧化物或氧化石墨烯的反应混合物。
• Bernasconi, Claude F.; Schuck, David F.; Ketner, Rodney J., Journal of the American Chemical Society, 1994, vol. 116, # 26, p. 11764 - 11774
  作者：Bernasconi, Claude F.、Schuck, David F.、Ketner, Rodney J.、Weiss, Minda、Rappoport, Zvi

  DOI：——

  日期：——
• The Reaction of Dinitrogen Tetroxide with Tolane
  作者：Kenneth N. Campbell、John Shavel、Barbara K. Campbell

  DOI：10.1021/ja01106a036

  日期：1953.5