1-苯乙基-2-甲基吡啶溴化物 | 10551-21-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 1-苯乙基-2-甲基吡啶溴化物
• 中文别名: 1-苯乙基-2-溴化甲基吡啶
• 英文名称: 2-methyl-1-phenethyl-pyridinium; bromide
• 英文别名: 2-Methyl-1-phenaethyl-pyridinium; Bromid；2-methyl-1-(2-phenylethyl)pyridinium bromide；1-Phenethyl-2-picolinium bromide；2-methyl-1-(2-phenylethyl)pyridin-1-ium;bromide
• CAS: 10551-21-0
• 化学式: Br*C₁₄H₁₆N
• 分子量: 278.192
• InChiKey: AYHBRSKXFVQPPX-UHFFFAOYSA-M

物化性质

• 熔点：
  195 °C
• 密度：
  1.3818 (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)：
  -0.47
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  3.9
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 安全说明：
  S24/25,S28,S37,S45
• 海关编码：
  2933399090

SDS

Name:	1-Phenethyl-2-picolinium bromide 99% (titr.) Material Safety Data Sheet
Synonym:
CAS:	10551-21-0

Section 1 - Chemical Product MSDS Name:1-Phenethyl-2-picolinium bromide 99% (titr.) Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
10551-21-0	1-PHENETHYL-2-PICOLINIUM BROMIDE	99%	234-134-8

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 digestive tract disturbances. 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:

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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 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. 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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 10551-21-0: 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 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: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 195 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: C14H16BrN
Molecular Weight: 278.19

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, dust generation.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, hydrogen bromide.
Hazardous Polymerization: Will not occur.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 10551-21-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-PHENETHYL-2-PICOLINIUM BROMIDE - 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.
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# 10551-21-0: No information available.
Canada
CAS# 10551-21-0 is listed on Canada's NDSL List.
CAS# 10551-21-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 10551-21-0 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1-苯乙基-2-甲基吡啶溴化物 在 bis[dichloro(pentamethylcyclopentadienyl)iridium(III)] 、 甲酸:三乙胺 1:1 、 potassium iodide 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以93%的产率得到2-methyl-1-phenethylpiperidine
  参考文献：
  名称：

  通过铑催化的转移加氢将吡啶有效且化学选择性还原为四氢吡啶和哌啶

  摘要：

  在碘化物阴离子的作用下，铑络合物二聚体[Cp * RhCl 2 ] 2在温和的条件下有效催化各种季铵盐的转移氢化，不仅提供哌啶，而且还提供高度化学选择性的1,2,3,6-四氢吡啶取决于吡啶环上的取代方式。还原反应是在40°C的共沸甲酸/三乙胺（HCOOH-Et 3 N）混合物中进行的，催化剂负载量低至0.005 mol％是可行的。

  DOI：

  10.1002/adsc.201201034
• 作为产物：
  描述：

  碳酸甲丙酯 、 乙基溴苯 以 乙腈 为溶剂， 反应 0.25h， 生成 1-苯乙基-2-甲基吡啶溴化物
  参考文献：
  名称：

  通过铑催化的转移加氢将吡啶有效且化学选择性还原为四氢吡啶和哌啶

  摘要：

  在碘化物阴离子的作用下，铑络合物二聚体[Cp * RhCl 2 ] 2在温和的条件下有效催化各种季铵盐的转移氢化，不仅提供哌啶，而且还提供高度化学选择性的1,2,3,6-四氢吡啶取决于吡啶环上的取代方式。还原反应是在40°C的共沸甲酸/三乙胺（HCOOH-Et 3 N）混合物中进行的，催化剂负载量低至0.005 mol％是可行的。

  DOI：

  10.1002/adsc.201201034

文献信息

• Transformations of 1-phenethyl-1,2,3,6-tetrahydropyridines in the presence of trifluoromethanesulfonic acid
  作者：Vera A. Shadrikova、Alexander S. Popov、Maria V. Termelyova、Marat R. Baimuratov、Yuri N. Klimochkin

  DOI：10.1007/s10593-020-02748-8

  日期：2020.7

  1-Phenethyl-1,2,3,6-tetrahydropyridines undergo intramolecular Friedel–Crafts reaction in trifluoromethanesulfonic acid medium, resulting in the formation of azatricyclic structures. It was shown that the direction of this reaction depended on the position of the substituent relative to the multiple bond in tetrahydropyridine. The structures of the obtained compounds were confirmed by a set of spectral

  1-苯乙基1,2,3,6-四氢吡啶在三氟甲磺酸介质中进行分子内Friedel-Crafts反应，形成氮杂三环结构。结果表明，该反应的方向取决于取代基相对于四氢吡啶中多键的位置。所得化合物的结构通过一套光谱分析方法确认。
• High contrast photographic recording material and emulsion and process for their development
  申请人：EASTMAN KODAK COMPANY (a New Jersey corporation)

  公开号：EP0345025A1

  公开（公告）日：1989-12-06

  A photographic recording material and emulsion are described which are capable of providing high contrast images. The recording material and emulsion comprises negative working silver halide and contrast enhancing arylhydrazide nucleating agents of the formula. wherein: R is a substituted or unsubstituted alkyl having from 1 to 8 carbon atoms or a substituted or unsubstituted cycloalkyl having from 4 to 8 carbon atoms in the ring.

  描述了一种能够提供高对比度图像的照相记录材料和乳剂。这种记录材料和乳剂包括卤化银负片和反差增强型芳基肼成核剂，其化学式为 其中 R 是具有 1 至 8 个碳原子的取代或未取代的烷基，或在环中具有 4 至 8 个碳原子的取代或未取代的环烷基。
• Some Quaternary Ammonium Salts of Heterocyclic Bases^1,2
  作者：Jonathan L. Hartwell、Sylvia R. L. Kornberg

  DOI：10.1021/ja01209a048

  日期：1946.5
• Govindachari; Thyagarajan, Proceedings - Indian Academy of Sciences, Section A, 1954, # 39, p. 232,234
  作者：Govindachari、Thyagarajan

  DOI：——

  日期：——
• Govindachari; Thyagarajan, Proceedings - Indian Academy of Sciences, Section A, 1954, vol. 39, p. 232,236
  作者：Govindachari、Thyagarajan

  DOI：——

  日期：——