双(环戊二烯)钴

双(环戊二烯)钴 基本信息
CAS号 1277-43-6 分子式 C10H10Co
分子量 189.12000 精确质量  189.01100
PSA  0.00000 LogP  2.04300

基本信息 展开↓

CAS号:
1277-43-6
3D弹球模型:
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分子式:
C10H10Co
分子量:
189.12000
中文名称:
双(环戊二烯)钴
英文名称:
cobaltocene
中文别名:
双(环戊二烯)钴;
环戊二烯基钴
英文别名:
cobaltocene;
Cobaltocene;
Bis(cyclopentadienyl)cobalt;
BIS(CYCLOPENTADIENYL)COBALT
精确分子量/精确质量:
189.01100
极性分子表面积/PSA:
0.00000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00013749
EINECS:
215-061-0
PubChem:
24860617
InChI:
The Key: ILZSSCVGGYJLOG-UHFFFAOYSA-N

生产制备方法及用途展开↓

制备方法


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。

合成制备方法


在四氢呋喃中,由环戊二烯基钠与无水氯化钴()反应而制得。

用途简介


催化剂。在200℃以上烯烃聚合抑制剂。狄尔斯-阿德耳(Diels-Alder)反应。油漆干燥剂。炔烃和腈合成吡啶催化剂。

用途


催化剂。在200以上烯烃聚合抑制剂。狄尔斯-阿德耳(Diels-Alder)反应。油漆干燥剂。炔烃和腈合成吡啶催化剂。

物化性质展开↓

外观与性状:
暗紫罗兰色晶体
熔点:
176-180 °C (dec.)(lit.)
沸点:
41.5ºC at 760 mmHg
存储条件/存储方法:
库房通风低温干燥,与食品原料分开存放
稳定性相关:

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

其它信息:

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。

安全信息展开↓

包装等级:
II
风险类别:
4.1
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R11
安全说明:
S16-S33-S7/9
RTECS号:
GG0350000
危险标志:
F

合成路线查看所有的合成路线

  • 1207872-61-4

    sodium cyclopentadienide

  • +

  • 7646-79-9

    二氯化钴

  • ~93%

  • 1277-43-6

    双(环戊二烯)钴

  • 12078-25-0

    二羰基环戊二烯基钴

  • ~82%

  • 1277-43-6

    双(环戊二烯)钴

  • 7440-48-4

  • +

  • 542-92-7

    环戊二烯

  • ~49%

  • 1277-43-6

    双(环戊二烯)钴

毒理性展开↓

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
毒理学数据:

1、急性毒性:大鼠引入腹膜LD55mg/kg
             小鼠引入腹膜LD5080mg/kg

2、  致肿瘤性:大鼠肌肉注射TDLo200mg/kg/60W-I

生态数据:

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。

MSDS 展开↓

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

分子结构与计算化学数据展开↓

分子结构数据


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

计算化学数据


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

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