5121-00-6

• 常用中文名：1-萘基乙酰氯
• 常用英文名：1-Naphthylacetyl chloride
• CAS号：5121-00-6
• 分子式：C₁₂H₉ClO
• 分子量：204.652
• 发布时间：2018-08-11 14:55:54
• 更新时间：2024-01-09 11:09:32
• 下载msds

名称

• 中文名: 萘-1-基乙酰氯
• 英文名: 2-naphthalen-1-ylacetyl chloride
• 中文别名: 1-萘基乙酰氯; 1-萘基乙酰氯; 2-(1-萘基)乙醇酰氯
• 英文别名: 1-Naphthaleneacetyl chloride; 1-naphthylacetic acid chloride; 2-(naphthalen-1-yl)acetyl chloride; 1-naphthalenylacetyl chloride; 1-Naphthylacetyl chloride; 1-Naphthaleneacetylchloride; (naphth-1-yl)acetyl chloride; MFCD00175852; naphthylacetyl chloride; 2-(1-Naphthyl)Ethanoyl Chloride

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 333.7±21.0 °C at 760 mmHg
• 分子式: C₁₂H₉ClO
• 分子量: 204.652
• 闪点: 156.4±15.2 °C
• 精确质量: 204.034195
• PSA: 17.07000
• LogP: 3.46
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.628
• 储存条件:

  常温，避光，阴凉干燥处，密封保存

• 稳定性:

  常温常压下稳定

• 分子结构:

  1、 摩尔折射率：58.52

  2、 摩尔体积（m³/mol）：164.8

  3、 等张比容（90.2K）：431.2

  4、 表面张力（dyne/cm）：46.7

  5、 极化率（10 ^-24cm ³）：23.20

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:1

  4.可旋转化学键数量:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积17.1

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:214

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  1. 性状：浅黄色晶体

  2. 密度：不确定

  3. 相对蒸汽密度（g/mL,空气=1）：不确定

  4. 熔点（ºC）：不确定

  5. 沸点（ºC,常压）：不确定

  6. 沸点（ºC,13mmHg）：不确定

  7. 折光率（nD20）：不确定

  8. 闪点（°F）：不确定

  9. 比旋光度（º, C=1, 水）：不确定

  10. 自燃点或引燃温度（ºC）：不确定

  11. 蒸气压（kPa,25ºC）：不确定

  12. 饱和蒸气压（kPa,60ºC）：不确定

  13. 燃烧热（KJ/mol）：不确定

  14. 临界温度（ºC）：不确定

  15. 临界压力（KPa）：不确定

  16. 油水（辛醇/水）分配系数的对数值：不确定

  17. 爆炸上限（%,V/V）：不确定

  18. 爆炸下限（%,V/V）：不确定

  19. 溶解性：不确定

MSDS

Name: 2-(1-Naphthyl)ethanoyl chloride 97% Material Safety Data Sheet Synonym: 2-(1-Naphtyl)acetyl chlorid CAS: 5121-00-6 Section 1 - Chemical Product MSDS Name:2-(1-Naphthyl)ethanoyl chloride 97% Material Safety Data Sheet Synonym:2-(1-Naphtyl)acetyl chlorid Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 5121-00-6 2-(1-Naphthyl)ethanoyl chloride 97% unlisted Hazard Symbols: C Risk Phrases: 34 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Causes burns.Moisture sensitive. Potential Health Effects Eye: Causes eye burns. Skin: Causes skin burns. Ingestion: Causes gastrointestinal tract burns. Inhalation: Causes chemical burns to the respiratory tract. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Immediately 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 immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Do not induce vomiting. Get medical aid immediately. Inhalation: Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Notes to Physician: Treat symptomatically and supportively. 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. Extinguishing Media: Use foam, dry chemical, or carbon dioxide. 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. Section 7 - HANDLING and STORAGE Handling: Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood. Storage: Store in a cool, dry place. Store in a tightly closed container. Corrosives area. Store under an inert atmosphere. 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# 5121-00-6: Personal Protective Equipment Eyes: Not available. 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. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Viscous liquid Color: yellow Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 130 deg C @0.6mmHg Freezing/Melting Point: Not available. 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: C12H9ClO Molecular Weight: 205 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials, exposure to moist air or water. Incompatibilities with Other Materials: Strong oxidizing agents, alcohols. Hazardous Decomposition Products: Hydrogen chloride, chlorine, carbon monoxide, carbon dioxide, acrid smoke and fumes. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 5121-00-6 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-(1-Naphthyl)ethanoyl chloride - 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 Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.* Hazard Class: 8 UN Number: 3265 Packing Group: III IMO Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3265 Packing Group: III RID/ADR Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3265 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: C Risk Phrases: R 34 Causes burns. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. 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# 5121-00-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 5121-00-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 5121-00-6 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 主要的刺激性影响 在皮肤上面：在皮肤和粘膜上造成腐蚀性影响，刺激皮肤和粘膜 在眼睛上面：强烈腐蚀性影响，刺激的影响 致敏作用：没有已知的敏化影响 生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境

安全

• 危害码 (欧洲): C
• 风险声明 (欧洲): R34
• 安全声明 (欧洲): S26-S36-S37-S39
• 危险品运输编码: UN 3265
• 包装等级: II

合成路线

86-87-3 ~99% 5121-00-6

文献：Chen, Yin-Bo; Li, Ji-Ling; Shao, Xu-Sheng; Xu, Xiao-Yong; Li, Zhong Chinese Chemical Letters, 2013 , vol. 24, # 8 p. 673 - 676

86-87-3 4732-69-8 ~% 5121-00-6 179396-33-9

文献：Knobelsdorf, James; Hays, Sheryl; Stankovic, Charles J.; Para, Kimberly S.; Connolly, Michael K.; Galatsis, Paul; Harter, William; Shahripour, Aurash B.; Plummer, Mark Stephen; Lunney, Beth; Janssen, Bernd; Fell, Jay Bradford Patent: US2003/96826 A1, 2003 ;

91-20-3 79-04-9 ~% 5121-00-6

文献：I.G. Farbenind. Patent: DE562391 , 1929 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 19, p. 779,781

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