1-甲氧基双环[2.2.2]-5-辛烯-2-甲腈 | 38258-92-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 1-甲氧基双环[2.2.2]-5-辛烯-2-甲腈
• 英文名称: 1-Methoxybicyclo[2.2.2]oct-5-ene-2-carbonitrile
• CAS: 38258-92-3
• 化学式: C₁₀H₁₃NO
• 分子量: 163.219
• InChiKey: XQFSLPUVWRXWSQ-UHFFFAOYSA-N

物化性质

• 沸点：
  290.31°C (rough estimate)
• 密度：
  1.0500

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S24/25
• 危险类别码：
  R20/21/22

SDS

Name:	1-Methoxybicyclo(2.2.2)oct-5-ene-2-carbo-nitrile Material Safety Data Sheet
Synonym:	None
CAS:	38258-92-3

Section 1 - Chemical Product MSDS Name:1-Methoxybicyclo(2.2.2)oct-5-ene-2-carbo-nitrile Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
38258-92-3	1-Methoxybicyclo(2.2.2)oct-5-ene-2-car	100.0	253-853-8

Hazard Symbols: XN
Risk Phrases: 20/21/22

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.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 immediately.
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:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
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:
Antidote: None reported.

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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. Use water spray to keep fire-exposed containers cool. Combustible liquid.
Containers may explode when heated.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam. Use water spray to cool fire-exposed containers.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame.
Avoid ingestion and inhalation. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames.
Storage:
Keep away from heat, sparks, and flame. Keep away from sources of ignition. 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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 38258-92-3: 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: Liquid
Color: viscous very pale yellow
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 87 deg C ( 188.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.0580g/cm3
Molecular Formula: C10H13NO
Molecular Weight: 163.22

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, ignition sources, excess heat.
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# 38258-92-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Methoxybicyclo(2.2.2)oct-5-ene-2-carbo-nitrile - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION
Other No information available.

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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: TOXIC LIQUID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
IMO
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing Group: III
RID/ADR
Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2810
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
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# 38258-92-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 38258-92-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 38258-92-3 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：

  1-甲氧基双环[2.2.2]-5-辛烯-2-甲腈 在 platinum on activated charcoal 六甲基磷酰三胺 、 氨 、 氢气 、 sodium 、 三溴化硼 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 为溶剂， 反应 20.67h， 生成 2-Allyl-1-bromo-bicyclo[2.2.2]octane
  参考文献：
  名称：

  Reaction of nucleophiles with bridgehead carbocations derived from 1-bromobicyclo[2.2.2]octanes and 1-bromobicyclo[3.3.1]nonanes

  摘要：

  DOI：

  10.1021/jo00223a035

文献信息

• Reduction by dissolving metals. Part XVIII. Metal–ammonia reductions of some bicyclo[2,2,2]octene derivatives: structural effects on double bond reduction and nitrile cleavage
  作者：A. J. Birch、E. G. Hutchinson

  DOI：10.1039/p19720001546

  日期：——

  The reduction of the double bond in some bicyclo[2,2,2]octene derivatives by lithium in liquid ammonia is assisted by a methoxy- or a substituted amino-group at the bridgehead, and by an endo-carbinol group. Reductive removal of a cyano-group from the 2-position of bicyclo[2,2,2]octene or octane derivatives is similarly assisted by bridgehead methoxy- or amino-groups.

  锂在液氨中在某些双环[2,2,2]辛烯衍生物中的双键的还原是通过桥头处的甲氧基或取代的氨基以及内-甲醇基团实现的。桥头甲氧基或氨基类似地辅助从双环[2,2,2]辛烯或辛烷衍生物的2-位还原性除去氰基。
• Diels alder assisted polymer grafting process
  申请人：THE DOW CHEMICAL COMPANY

  公开号：EP0327745A1

  公开（公告）日：1989-08-16

  A Diels Alder adduct is mixed with a polyolefin or vinyl polymer substrate and thermally decomposed to form an ethylenically unsaturated monomer which grafts onto the polymer substrate. The monomer conforms generally to the formula R₁R₂C=CHR₃ in which R₁ is hydrogen, methyl or ethyl, R₂ is hydrogen, methyl, ethyl or vinyl and R₃ is inter alia hydroxyl, carboxyl, cyano, formyl, acetyl or propanoyl. The Diels Alder adduct substantially decomposes at a temperature of 120°C to 300°C, but does not substantially decompose below about 120°C. The polymer substrate is preferably high-density polyethylene, low density polyethylene, linear low density polyethylene, ethylene-propylene rubber, propylene, polystyrene or styrene-butadiene block copolymers. The grafting is induced by, for example, heat, catalyst and/or high shear conditions. Optionally, the polymer mixture is devolatilized to removed any unreacted Diels Alder adduct and decomposition products thereof.

  将 Diels Alder 加合物与聚烯烃或乙烯基聚合物基材混合并热分解，形成乙烯基不饱和单体，接枝到聚合物基材上。单体一般符合式 R₁R₂C=CHR₃，其中 R₁ 是氢、甲基或乙基，R₂ 是氢、甲基、乙基或乙烯基，R₃ 除其他外是羟基、羧基、氰基、甲酰基、乙酰基或丙酰基。Diels Alder 加合物在 120°C 至 300°C 的温度下基本分解，但在 120°C 以下不会基本分解。聚合物基材最好是高密度聚乙烯、低密度聚乙烯、线性低密度聚乙烯、乙烯-丙烯橡胶、丙烯、聚苯乙烯或丁苯嵌段共聚物。接枝可通过加热、催化剂和/或高剪切条件等方式进行。可选择对聚合物混合物进行脱溶剂处理，以去除任何未反应的 Diels Alder 加合物及其分解产物。
• Reaction of nucleophiles with bridgehead carbocations derived from 1-bromobicyclo[2.2.2]octanes and 1-bromobicyclo[3.3.1]nonanes
  作者：George A. Kraus、Yung Son Hon

  DOI：10.1021/jo00223a035

  日期：1985.11