2-(哌啶甲基)-1-环己酮盐酸盐 | 6966-09-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 2-(哌啶甲基)-1-环己酮盐酸盐
• 英文名称: 2-(N-piperidinomethyl)cyclohexanone hydrochloride
• 英文别名: 2-piperidinomethyl-cyclohexanone; hydrochloride；2-Piperidinomethyl-cyclohexanon; Hydrochlorid；2-(1-piperidinylmethyl)-cyclohexanone, hydrochloride；2-(piperidin-1-ylmethyl)cyclohexanone hydrochloride；2-(piperidin-1-ium-1-ylmethyl)cyclohexan-1-one;chloride
• CAS: 6966-09-2
• 化学式: C₁₂H₂₁NO*ClH
• 分子量: 231.766
• InChiKey: CPBMVAYQVPLSFX-UHFFFAOYSA-N

物化性质

• 熔点：
  166-170 °C
• 稳定性/保质期：
  在常温常压下，该物质是稳定的。

计算性质

• 辛醇/水分配系数(LogP)：
  2.65
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  20.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 安全说明：
  S24/25
• 海关编码：
  2933399090
• 储存条件：
  密封储存，应存放在阴凉、干燥的库房中。

SDS

Name:	2-(Piperidylmethyl)-1-Cyclohexanone Hydrochloride 98% Material Safety Data Sheet
Synonym:	None Known
CAS:	6966-09-2

Section 1 - Chemical Product MSDS Name:2-(Piperidylmethyl)-1-Cyclohexanone Hydrochloride 98% Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
6966-09-2	2-(Piperidylmethyl)-1-Cyclohexanone Hy	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:
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. 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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam. Use agent most appropriate to extinguish fire.

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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. 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# 6966-09-2: 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: Crystals
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 166 - 170 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: soluble in water
Specific Gravity/Density:
Molecular Formula: C12H22ClNO
Molecular Weight: 231.6131

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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.
Incompatibilities with Other Materials:
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# 6966-09-2: GW2080000 LD50/LC50:
Not available.
Carcinogenicity:
2-(Piperidylmethyl)-1-Cyclohexanone Hydrochloride - 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# 6966-09-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 6966-09-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 6966-09-2 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-(哌啶甲基)-1-环己酮盐酸盐 在 乙醇 、 铂 作用下， 生成 2-piperidinomethyl-cyclohexanol; hydrochloride
  参考文献：
  名称：

  Lee et al., Festschrift E. Barell S. 264, 304

  摘要：

  DOI：
• 作为产物：
  描述：

  聚合甲醛 、 哌啶盐酸盐 、 环己酮 在 溶剂黄146 作用下， 反应 3.0h， 以63%的产率得到2-(哌啶甲基)-1-环己酮盐酸盐
  参考文献：
  名称：

  Dimmock; Chamankhah; Seniuk, Pharmazie, 1995, vol. 50, # 10, p. 668 - 671

  摘要：

  DOI：

文献信息

• Novel Compounds
  申请人：Cheng Yun-Xing

  公开号：US20070259888A1

  公开（公告）日：2007-11-08

  Compounds of Formulae I, or pharmaceutically acceptable salts thereof: wherein X, R 1 , R 2 and R 3 are as defined in the specification as well as salts and pharmaceutical compositions including the compounds are prepared. They are useful in therapy, in particular in the management of pain.

  公式I的化合物，或其药用盐：其中X、R1、R2和R3如规范中定义的那样，以及包括这些化合物的盐和药物组合物已经准备好。它们在治疗中很有用，特别是在疼痛管理中。
• Mannich; Hoenig, Archiv der Pharmazie, 1927, p. 601
  作者：Mannich、Hoenig

  DOI：——

  日期：——
• Dimroth; Resin; Zetzsch, Chemische Berichte, 1940, vol. 73, p. 1399,1404
  作者：Dimroth、Resin、Zetzsch

  DOI：——

  日期：——
• 312. Synthetic analgesics. Part X. Tertiary carbinols and derivatives from mannich bases
  作者：A. L. Morrison、H. Rinderknecht

  DOI：10.1039/jr9500001510

  日期：——
• Mannich, Chemische Berichte, 1941, vol. 74, p. 565,568
  作者：Mannich

  DOI：——

  日期：——