基本情報
- 標準SMILES
[Co+2].c1cc[cH-]c1.c1cc[cH-]c1- InChIKey
ILZSSCVGGYJLOG-UHFFFAOYSA-N- 分子式
- C10H10Co
- 平均分子量
- 189.12 g/mol
- 単同位体質量
- 189.011444
名称と識別子
- 優先名称
- Cobaltocene
- IUPAC
- cobalt(2+);bis(cyclopenta-1,3-diene)
- 現地名
- コバルトセン
- 英語名
- Bis(cyclopentadienyl)cobalt
- 分子式
- C10H10Co10*
- 分子量
- 189.12
名称と別名
名称をさらに表示
データベース識別子
- CAS
1277-43-6- PubChem CID
- 92884
- UNII
- 4W7LGU89CV
- EC Number
- 215-061-0
物性
構造計算による物性
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 0
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 11
実験および物理化学的性質
Physical Description
Cobaltocene appears as black-purple crystals or black solid. Sublimes at 104 °F and 0.1 mmHg. (NTP, 1992)
Black-purple or black solid; Insoluble in water; [CAMEO] Black-violet crystals; [Acros Organics MSDS]
物理化学的性質
- 融点
- 176 · 176-180 °C (dec.)(lit.)
- 沸点
- 173 ℃ · 173℃ [CRC10]
- 貯蔵温度
- 2 · 2-8°C
- 外見
- 結晶
- 色
- 紫がかった黒
- 水溶解度
- 水に不溶。
- 安定性
- 安定していますが、非常に反応性が高く、空気や湿気に敏感です - 不活性ガス下で保管してください。強力な酸化剤とは相容れない。とても燃えやすい。
- InChI
- InChI=1S/2C5H5.Co/c2*1-2-4-5-3-1;/h2*1-5H;
- InChIKey
- PXFGMRZPRDJDEK-UHFFFAOYSA-N
- SMILES
- [CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Co] |^1:0,1,2,3,4,5,6,7,8,9|
- CAS データベース
- 1277 · 1277-43-6(CAS DataBase Reference)
- EPAの化学物質情報
- Cobaltocene (1277-43-6)
化学的性質
化学的特性dark violet crystals
安全と法規制
GHS分類
GHS Classification
Danger
H228 (100%): Flammable solid [Danger Flammable solids];H317 (29.5%): May cause an allergic skin reaction [Warning Sensitization, Skin];H334 (26.8%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory];H341 (29.5%): Suspected of causing genetic defects [Warning Germ cell mutagenicity];H351 (26.8%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P210, P233, P240, P241, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P318, P321, P333+P317, P342+P316, P362+P364, P370+P378, P403, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 149 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Hazards Summary
Intraperitoneal LD50 (mouse) = 80 mg/kg; [RTECS] A strong reducing agent; Readily oxidized by air and water; Sensitive to air and light exposure; [CAMEO] Highly reactive; Toxic by ingestion; [NTP] An irritant; Ingestion may cause CNS depression; [Acros Organics MSDS] See Cobalt.
安全と保護具
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. IMMEDIATELY call a hospital or poison control center even if no symptoms (such as redness or irritation) develop. IMMEDIATELY transport the victim to a hospital for treatment after washing the affected areas.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. IMMEDIATELY call a physician and be prepared to transport the victim to a hospital even if no symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Generally, the induction of vomiting is NOT recommended outside of a physician's care due to the risk of aspirating the chemical into the victim's lungs. However, if the victim is conscious and not convulsing and if medical help is not readily available, consider the risk of inducing vomiting because of the high toxicity of the chemical ingested. Ipecac syrup or salt water may be used in such an emergency. IMMEDIATELY transport the victim to a hospital. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.;STORAGE PRECAUTIONS: You should protect this chemical from exposure to light. Keep the container tightly closed under an inert atmosphere, and store it in a freezer. All handling should be under an inert atmosphere. STORE AWAY FROM SOURCES OF IGNITION. (NTP, 1992)
Isolation and Evacuation
Excerpt from ERG Guide 133 [Flammable Solids]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area for at least 25 meters (75 feet) in all directions.;LARGE SPILL: Consider initial downwind evacuation for at least 100 meters (330 feet).;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)
Personal Protective Equipment (PPE)
MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.;RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with a combination filter cartridge, i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid gas, SO2 and a high efficiency particulate filter). (NTP, 1992)
毒性情報
Toxicity Summary
Cobalt is believed to exhibit its toxicity through a oxidant-based and free radical-based processes. It produces oxygen radicals and may be oxidized to ionic cobalt, causing increased lipid peroxidation, DNA damage, and inducing certain enzymes that lead to cell apoptosis. Cobalt has also been shown to block inorganic calcium channels, possibly impairing neurotransmission. Cobalt can also chelate lipoic acids, impairing oxidation of pyruvate or fatty acids. In addition, cobalt may inhibit DNA repair by interacting with zinc finger DNA repair proteins, and has also been shown to inhibit heme synthesis and glucose metabolism. Cobalt may activate specific helper T-lymphocyte cells and interact directly with immunologic proteins, such as antibodies (IgA and IgE) or Fc receptors, resulting in immunosensitization. (L29)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- GG0350000
- ridadr
- UN 1325 4.1/PG 3
- 毒性
- mmo-sat 3333 mg/plate EMMUEG 19(Suppl 21),2,92
- PRTR法
- 1-132
- hs_code
- 29319090
- risk_code
- 11-68-42/43-40
- 安衛法
- 57,57-2
- hazard_code
- F,Xn
- safety_code
- 16-33-7/9-36/37-22
- hazard_class
- 4.1
- packing_group
- II
- Hazard Classifications
- Carc. 2Flam. Sol. 2Muta. 2Resp. Sens. 1Skin Sens. 1
- ストレージクラス
- 4.1B - Flammable solid hazardous materials
化学と産業
薬理情報
Metabolism/Metabolites
Cobalt is absorbed though the lungs, gastrointestinal tract, and skin. Since it is a component of the vitamin B12 (cyanocobalamin), it is distributed to most tissues of the body. It is transported in the blood, often bound to albumin, with the highest levels being found in the liver and kidney. Cobalt is excreted mainly in the urine and faeces. (L29)
用途と製造
Uses
Used to catalyze synthesis of pyridines from alkynes and nitriles, as a polymerization inhibitor of olefins, in Diels-Alder reactions, as a paint drier, and as an oxygen stripping agent; [NTP]
Painting (Pigments, Binders, and Biocides) [Category: Paint]
応用分野
使用Bis(cyclopentadienyl)cobalt is used to catalyze the preparation of pyridines from alkynes and nitriles. It acts as a polymerization inhibitor of olefins. It is a common one-electron reducing agent in the laboratory. It reacts with carbon monoxide to prepare cobalt(I) derivative, cyclopentadienylcobalt dicarbonyl. It also serves as an internal standard in cyclic voltametry. Further, it finds use in Diels-Alder reactions. In addition to this, it is used as a paint drier and as an oxygen stripping agent.
一般的な説明Black-purple crystals or black solid. Sublimes at 104°F and 0.1 mm Hg.
上流・下流製品情報
上流原料
サプライヤー50 社
補足説明
定義A metallocene.
関連反応
関連ノート
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