2,3-环氧-1,2,3,4-四水蒽 | 176236-88-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 中文名称: 2,3-环氧-1,2,3,4-四水蒽
• 英文名称: 2,3-epoxy-1,2,3,4-tetrahydroanthracene
• 英文别名: 13-oxatetracyclo[8.5.0.03,8.012,14]pentadeca-1,3,5,7,9-pentaene
• CAS: 176236-88-7
• 化学式: C₁₄H₁₂O
• mdl: MFCD00800578
• 分子量: 196.249
• InChiKey: VYFQNEPGUNYZJV-UHFFFAOYSA-N

物化性质

• 熔点：
  159-160°C
• 沸点：
  293.14°C (rough estimate)
• 密度：
  1.0304 (rough estimate)
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.285
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  1

SDS

Name:	2 3-EPOXY-1 2 3 4-TETRAHYDROANTHRACENE 98% Material Safety Data Sheet
Synonym:
CAS:	176236-88-7

Section 1 - Chemical Product MSDS Name:2 3-EPOXY-1 2 3 4-TETRAHYDROANTHRACENE 98% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
176236-88-7	2,3-EPOXY-1,2,3,4-TETRAHYDROANTHRACENE	98%	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:
Non-irritating to the eyes. May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
Non-irritating to the skin. May cause skin irritation. The toxicological properties of this material have not been fully investigated.
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. Wash mouth out with 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:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. 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 breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
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# 176236-88-7: 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 prevent skin exposure.
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: Crystalline powder
Color: beige
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 159 - 160 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: C14H12O
Molecular Weight: 196.25

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stability unknown.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 176236-88-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,3-EPOXY-1,2,3,4-TETRAHYDROANTHRACENE - 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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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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.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 176236-88-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 176236-88-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 176236-88-7 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：

  2,3-环氧-1,2,3,4-四水蒽 在 copper(l) iodide 、 邻四氯苯醌 作用下， 以 甲苯 为溶剂， 反应 1.33h， 生成 2-苯基蒽
  参考文献：
  名称：

  A General Synthetic Method for 2-Substituted Anthracenes

  摘要：

  在 2 位上带有伯烷基、Ï-羟基烷基、芳基或乙烯基取代基的蒽，可通过铜催化的格氏反应制备 2,3-环氧-1,2,3,4-四氢蒽，然后用四氯-1,2-苯醌（邻氯苯醌）对生成的醇进行脱水-脱氢反应。

  DOI：

  10.1055/s-1996-4436
• 作为产物：
  描述：

  1,4-二氢-1,4-环氧萘 在 盐酸 、 碳酸氢钠 、 间氯过氧苯甲酸 作用下， 以 甲醇 、 氯仿 、 甲苯 为溶剂， 反应 51.0h， 生成 2,3-环氧-1,2,3,4-四水蒽
  参考文献：
  名称：

  A General Synthetic Method for 2-Substituted Anthracenes

  摘要：

  在 2 位上带有伯烷基、Ï-羟基烷基、芳基或乙烯基取代基的蒽，可通过铜催化的格氏反应制备 2,3-环氧-1,2,3,4-四氢蒽，然后用四氯-1,2-苯醌（邻氯苯醌）对生成的醇进行脱水-脱氢反应。

  DOI：

  10.1055/s-1996-4436

文献信息

• Enantioselectivity in the reduction of tricyclic hydroaromatic ketones by baker's yeast
  作者：Gabriele Fontana、Paolo Manitto、Giovanna Speranza、Simona Zanzola

  DOI：10.1016/s0957-4166(98)00111-6

  日期：1998.4

  Three benzo-2-tetralones were hydrogenated to the corresponding alcohols by non-fermenting baker's yeast. Satisfactory yields but modest enantioselectivities were observed. The prevalent enantioform of the benzo-2-tetralol was found to be in agreement with the predictive abstract model previously proposed for the enzymatic hydrogenation of aromatic ring substituted 2-tetralones.

  通过非发酵面包酵母将三种苯并-2-四氢萘酮氢化为相应的醇。令人满意的产率，但是观察到适度的对映选择性。发现苯并-2-戊醇的普遍对映体与先前提出的用于芳香环取代的2-四氢萘酮的酶促氢化的预测抽象模型相符。
• Novel Conversion of 1,2-Disubstituted <i>cis</i>-Epoxides to One-Carbon Homologated Allylic Alcohols Using Dimethylsulfonium Methylide
  作者：Lilian Alcaraz、Andrew Cridland、Elizabeth Kinchin

  DOI：10.1021/ol016782y

  日期：2001.12.1

  [GRAPHICS]The treatment of cis-epoxides with an excess of dimethylsulfonium methylide affords one-carbon homologated allylic alcohols in good to excellent yields.
• Naphtho and benzo analogs of the .kappa. opioid agonist trans-(.+-.)-3,4-dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]benzeneacetamide
  作者：Jeremiah P. Freeman、Eric T. Michalson、Stan V. D'Andrea、Lubomir Baczynskyj、Philip F. VonVoigtlander、R. A. Lahti、Martin W. Smith、Charles F. Lawson、Terrence A. Scahill

  DOI：10.1021/jm00110a021

  日期：1991.6

  Further elaboration on the structure-activity relationships in our U-50,488 series has revealed that benzologation of this cyclohexane-1,2-diamine derivative provides compounds which either maintain the interaction with the kappa-receptor (e.g. compounds 3a and 5a in the phenylacetamido series) or eliminate the mu-receptor mediated analgesia (e.g. compounds 3-6 in the benzamido series). Naphthologation also caused the elimination of mu-receptor mediated analgesia (e.g. compounds 17a and 17b).
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