1277-43-6

• 常用中文名：钴烯
• 常用英文名：Cobaltocene
• CAS号：1277-43-6
• 分子式：C₁₀H₁₀Co
• 分子量：189.12000
• 相关类别： 有机原料 有机金属类化合物 有机铋、钴、镨、钆、镓、铱、铼、钇、铽等
• 发布时间：2018-04-17 08:00:00
• 更新时间：2025-08-21 12:31:01
• Cobaltocene is used to catalyze the preparation of pyridines from alkynes and nitriles. It is also used as a paint drier and as an oxygen stripping agent.

名称

• 中文名: 双(环戊二烯)钴
• 英文名: cobaltocene
• 中文别名: 环戊二烯基钴
• 英文别名: Cobaltocene; MFCD00013749; Bis(cyclopentadienyl)cobalt; EINECS 215-061-0

物化性质

• 沸点: 41.5ºC at 760 mmHg
• 熔点: 176-180 °C (dec.)(lit.)
• 分子式: C₁₀H₁₀Co
• 分子量: 189.12000
• 精确质量: 189.01100
• LogP: 2.04300
• 外观性状: 暗紫罗兰色晶体
• 储存条件:

  密封、在0-6 ºC下保存

• 稳定性:

  如果遵照规格使用和储存则不会分解，未有已知危险反应，避免氧化物、水分/潮湿、酸

• 分子结构:

  1、摩尔折射率：无可用的

  2、摩尔体积（cm³/mol）：无可用的

  3、等张比容（90.2K）：无可用的

  4、表面张力（dyne/cm）：无可用的

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：无可用的

  7、单一同位素质量：189.01145 Da

  8、标称质量：189 Da

  9、平均质量：189.1196 Da

• 计算化学:

  1、 氢键供体数量：0

  2、 氢键受体数量：2

  3、 可旋转化学键数量：0

  4、 拓扑分子极性表面积（TPSA）：0

  5、 重原子数量：11

  6、 表面电荷：0

  7、 复杂度：11.6

  8、 同位素原子数量：0

  9、 确定原子立构中心数量：0

  10、 不确定原子立构中心数量：0

  11、 确定化学键立构中心数量：0

  12、 不确定化学键立构中心数量：0

  13、 共价键单元数量：3

• 更多:

  1. 性状：紫色结晶。对空气、光和热敏感。具有高活性，易被空气、水和稀酸氧化。

  2. 密度（g/mL,25/4℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）： 未确定

  9. 比旋光度（º）：未确定

  10.自燃点或引燃温度（ºC）：未确定

  11.蒸气压（kPa,25ºC）：未确定

  12.饱和蒸气压（kPa,60ºC）：未确定

  13.燃烧热（KJ/mol）：未确定

  14.临界温度（ºC）：未确定

  15.临界压力（KPa）：未确定

  16.油水（辛醇/水）分配系数的对数值：未确定

  17.爆炸上限（%,V/V）：未确定

  18.爆炸下限（%,V/V）：未确定

  19.溶解性：溶于烃类。

MSDS

Name: Cobaltocene 98% Material Safety Data Sheet Synonym: Di-pi-Cyclopentadienyl Cobalt; Bis(cyclopentadienyl)cobalt CAS: 1277-43-6 Section 1 - Chemical Product MSDS Name:Cobaltocene 98% Material Safety Data Sheet Synonym:Di-pi-Cyclopentadienyl Cobalt; Bis(cyclopentadienyl)cobalt Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 1277-43-6 Cobaltocene 98.0 215-061-0 Hazard Symbols: XI Risk Phrases: 10 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Flammable. Irritating to eyes, respiratory system and skin.Air sensitive.Moisture sensitive. Potential Health Effects Eye: Causes eye irritation. May cause chemical conjunctivitis and corneal damage. Skin: Causes skin irritation. May cause dermatitis. May cause cyanosis of the extremities. Ingestion: May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Ingestion of large amounts may cause CNS depression. Inhalation: Causes respiratory tract irritation. Aspiration may lead to pulmonary edema. Vapors may cause dizziness or suffocation. Can produce delayed pulmonary edema. May cause burning sensation in the chest. Chronic: Effects may be delayed. 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: 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. 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: 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. Vapors can travel to a source of ignition and flash back. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Will burn if involved in a fire. Use water spray to keep fire-exposed containers cool. Containers may explode in the heat of a fire. Flammable solid. Extinguishing Media: For small fires, use dry chemical, carbon dioxide, water spray or alcohol-resistant foam. For large fires, use water spray, fog, or alcohol-resistant foam. Water may be ineffective. Use agent most appropriate to extinguish fire. Do NOT get water inside containers. Do NOT use straight streams of water. Use water spray, dry chemical, carbon dioxide, or appropriate foam. 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. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation. Place under an inert atmosphere. Do not get water inside containers. A vapor suppressing foam may be used to reduce vapors. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation. Use with adequate ventilation. Handle under an inert atmosphere. Store protected from air. Do not allow contact with water. Wash clothing before reuse. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Keep from contact with moist air and steam. Storage: Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area. Keep refrigerated. (Store below 4C/39F.) Do not expose to air. Store protected from moisture. 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 general or local explosion-proof ventilation to keep airborne levels to acceptable levels. Exposure Limits CAS# 1277-43-6: United Kingdom, WEL - TWA: (listed as cobalt compounds): 0.1 mg/m TWA (as Co) United Kingdom, WEL - STEL: (listed as cobalt compounds): 0.3 mg/ STEL (as Co) Japan: (listed as cobalt compounds): 0.05 mg/m3 OEL (as Co) 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: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Crystals Color: black-violet Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 178 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: <0.1 g/100 mL at 21.5 C Specific Gravity/Density: Molecular Formula: C10H10Co Molecular Weight: 189.12 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable at room temperature in closed containers under normal storage and handling conditions. Conditions to Avoid: Incompatible materials, ignition sources, dust generation, moisture, exposure to air, excess heat, strong oxidants. Incompatibilities with Other Materials: Strong oxidizing agents, acids, moisture, air. Hazardous Decomposition Products: Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 1277-43-6: GG0350000 LD50/LC50: Not available. Carcinogenicity: Cobaltocene - Not listed by ACGIH, IARC, or NTP. Other: See actual entry in RTECS for complete information. Section 12 - ECOLOGICAL INFORMATION Other No information available. Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. 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. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: R 10 Flammable. R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 9 Keep container in a well-ventilated place. S 16 Keep away from sources of ignition - No smoking. S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 33 Take precautionary measures against static discharges. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 1277-43-6: No information available. Canada CAS# 1277-43-6 is listed on Canada's NDSL List. CAS# 1277-43-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1277-43-6 is listed on the TSCA inventory. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 1 、急性毒性：大鼠引入腹膜LD：55mg/kg 小鼠引入腹膜LD50：80mg/kg 2、 致肿瘤性：大鼠肌肉注射TDLo：200mg/kg/60W-I 生态学数据: 对是水稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境。 CHEMICAL IDENTIFICATION RTECS NUMBER : GG0350000 CHEMICAL NAME : Cobalt, di-pi-cyclopentadienyl- CAS REGISTRY NUMBER : 1277-43-6 LAST UPDATED : 199701 DATA ITEMS CITED : 5 MOLECULAR FORMULA : C10-H10-Co MOLECULAR WEIGHT : 189.13 WISWESSER LINE NOTATION : L50J 0-CO-- 0L50J HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 55 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 80 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 200 mg/kg/60W-I TOXIC EFFECTS : Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application MUTATION DATA TYPE OF TEST : Mutation in microorganisms TEST SYSTEM : Bacteria - Salmonella typhimurium DOSE/DURATION : 3333 ug/plate REFERENCE : EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 19(Suppl 21),2,1992

安全

• 符号: GHS02, GHS08
• 信号词: Danger
• 危害声明: H228-H317-H334-H341-H351
• 警示性声明: P210-P261-P280-P342 + P311
• 个人防护装备: Eyeshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
• 危害码 (欧洲): F
• 风险声明 (欧洲): R11
• 安全声明 (欧洲): S16-S33-S7/9
• 危险品运输编码: UN 1325 4.1/PG 3
• WGK德国: 3
• RTECS号: GG0350000
• 包装等级: II
• 危险类别: 4.1

合成路线

制备

在四氢呋喃中，由环戊二烯基钠与无水氯化钴(Ⅱ)反应而制得。