双(环戊二烯)镍

双(环戊二烯)镍 基本信息
CAS号 1271-28-9 分子式 C10H10Ni
分子量 188.88000 精确质量  188.01400
PSA  0.00000 LogP  2.04300

基本信息 展开↓

CAS号:
1271-28-9
3D弹球模型:
立即前往扯扯看
分子式:
C10H10Ni
分子量:
188.88000
中文名称:
双(环戊二烯)镍
英文名称:
nickelocene
中文别名:
双(环戊二烯)镍;
双(氯茂基)镍;
二茂镍
英文别名:
nickelocene;
NICKELOCENE;
Nickelocene;
Bis(cyclopentadienyl)nickel
精确分子量/精确质量:
188.01400
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:
MFCD00001441
EINECS:
215-039-0
PubChem:
24897832
InChI:
InChI=1/2C5H5.Ni/c2*1-2-4-5-3-1;/h2*1-3H,4H2;/rC10H10Ni/c1-2-6-9(5-1)11-10-7-3-4-8-10/h1-5,7H,6,8H2

生产制备方法及用途展开↓

制备方法


由氯化镍与茂基钾在液氨中或与茂基钠在乙醚中作用而得。

合成制备方法


由氯化镍与茂基钾在液氨中或与茂基钠在乙醚中作用而得。

用途简介


催化剂。络合剂。 用作烃类精炼催化剂、氢化催化剂、自由基聚合反应抑制剂、硫化加速剂、燃料抗震剂等,亦用于镀镍,制备高纯镍等。

用途


催化剂。络合剂。
用作烃类精炼催化剂、氢化催化剂、自由基聚合反应抑制剂、硫化加速剂、燃料抗震剂等,亦用于镀镍,制备高纯镍等。

物化性质展开↓

熔点:
171-173 °C(lit.)
存储条件/存储方法:

  

保持贮藏器密封、储存在阴凉、干燥的地方,确保工作间有良好的通风或排气装置

 

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

其它信息:

1.   性状:深绿色结晶。为高活性化合物,在空气中很快分解。在真空中升华。

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):171173

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:溶于多数有机溶剂,不溶于水。在丙酮、乙醇和乙醚中分解。

安全信息展开↓

包装等级:
I
风险类别:
4.2
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R49;R11;R22;R43
安全说明:
S53-S36/37/39-S45
RTECS号:
QR6500000
危险标志:
F:Flammable;T:Toxic;

合成路线查看所有的合成路线

  • 7440-02-0

  • +

  • 542-92-7

    环戊二烯

  • 1271-28-9

    双(环戊二烯)镍

  • 547-67-1

    草酸镍

  • +

  • 542-92-7

    环戊二烯

  • 1271-28-9

    双(环戊二烯)镍

  • 373-02-4

    醋酸镍

  • +

  • 542-92-7

    环戊二烯

  • 1271-28-9

    双(环戊二烯)镍

化学图谱

  1. 二茂镍红外图谱(IR1)

  2. 二茂镍红外图谱(IR2)

  3. 二茂镍质谱(MS)

上一页 1/4 下一页

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QR6500000
CAS REGISTRY NUMBER :
1271-28-9
LAST UPDATED :
199701
DATA ITEMS CITED :
19
MOLECULAR FORMULA :
C10-H10-Ni
MOLECULAR WEIGHT :
188.91
WISWESSER LINE NOTATION :
L50J 0-NI- 0L50J

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
490 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PWPSA8 Proceedings of the Western Pharmacology Society. (Univ. of California Dept. of Pharmacology, Los Angeles, CA 90024) V.1- 1958- Volume(issue)/page/year: 11,39,1968
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NCIUS* Progress Report for Contract No. PH-43-64-886, Submitted to the National Cancer Institute by The Institute of Chemical Biology, University of San Francisco. (San Francisco, CA 94117) Volume(issue)/page/year: PH43-64-886
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
82 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NCIUS* Progress Report for Contract No. PH-43-64-886, Submitted to the National Cancer Institute by The Institute of Chemical Biology, University of San Francisco. (San Francisco, CA 94117) Volume(issue)/page/year: PH43-64-886
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
600 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - hypermotility, diarrhea
REFERENCE :
PWPSA8 Proceedings of the Western Pharmacology Society. (Univ. of California Dept. of Pharmacology, Los Angeles, CA 90024) V.1- 1958- Volume(issue)/page/year: 11,39,1968
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
86 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PWPSA8 Proceedings of the Western Pharmacology Society. (Univ. of California Dept. of Pharmacology, Los Angeles, CA 90024) V.1- 1958- Volume(issue)/page/year: 11,39,1968 ** TUMORIGENIC DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
600 mg/kg/52W-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Tumorigenic - tumors at site of application
REFERENCE :
NCIUS* Progress Report for Contract No. PH-43-64-886, Submitted to the National Cancer Institute by The Institute of Chemical Biology, University of San Francisco. (San Francisco, CA 94117) Volume(issue)/page/year: PH43-64-886
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Musculoskeletal - tumors Tumorigenic - tumors at site of application
REFERENCE :
PWPSA8 Proceedings of the Western Pharmacology Society. (Univ. of California Dept. of Pharmacology, Los Angeles, CA 90024) V.1- 1958- Volume(issue)/page/year: 14,68,1971
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
600 mg/kg/47W-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Blood - lymphoma, including Hodgkin's disease Tumorigenic - tumors at site of application
REFERENCE :
NCIUS* Progress Report for Contract No. PH-43-64-886, Submitted to the National Cancer Institute by The Institute of Chemical Biology, University of San Francisco. (San Francisco, CA 94117) Volume(issue)/page/year: PH43-64-886
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
650 mg/kg/1Y-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Musculoskeletal - tumors Tumorigenic - tumors at site of application
REFERENCE :
PWPSA8 Proceedings of the Western Pharmacology Society. (Univ. of California Dept. of Pharmacology, Los Angeles, CA 90024) V.1- 1958- Volume(issue)/page/year: 14,68,1971
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1260 mg/kg/56W-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Tumorigenic - tumors at site of application
REFERENCE :
NCIUS* Progress Report for Contract No. PH-43-64-886, Submitted to the National Cancer Institute by The Institute of Chemical Biology, University of San Francisco. (San Francisco, CA 94117) Volume(issue)/page/year: PH43-64-886
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Musculoskeletal - tumors Skin and Appendages - tumors
REFERENCE :
NCIUS* Progress Report for Contract No. PH-43-64-886, Submitted to the National Cancer Institute by The Institute of Chemical Biology, University of San Francisco. (San Francisco, CA 94117) Volume(issue)/page/year: PH43-64-886
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
50 mg/kg/46W-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Tumorigenic - tumors at site of application
REFERENCE :
NCIUS* Progress Report for Contract No. PH-43-64-886, Submitted to the National Cancer Institute by The Institute of Chemical Biology, University of San Francisco. (San Francisco, CA 94117) Volume(issue)/page/year: PH43-64-886 *** REVIEWS *** IARC Cancer Review:Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 11,75,1976 IARC Cancer Review:Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 49,257,1990 TOXICOLOGY REVIEW 85DHAX "Medical and Biologic Effects of Environmental Pollutants Series," Washington, DC, National Academy of Sciences, 1972-77 Volume(issue)/page/year: Ni,168,1975 TOXICOLOGY REVIEW ACLSCP Annals of Clinical and Laboratory Science. (1833 Delancey Pl., Philadelphia, PA 19103) V.1- 1971- Volume(issue)/page/year: 3,156,1973 TOXICOLOGY REVIEW PEXTAR Progress in Experimental Tumor Research. (S. Karger AG, Postfach CH-4009 Basel, Switzerland) V.1- 1960- Volume(issue)/page/year: 12,102,1969
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: Bis(1 5-Cyclopentadienyl)Nickel Material Safety Data Sheet
Synonym: Nickelocene; Di-Pi-Cyclopentadienylnickel
CAS: 1271-28-9
Section 1 - Chemical Product   MSDS Name:Bis(1 5-Cyclopentadienyl)Nickel Material Safety Data Sheet
Synonym:Nickelocene; Di-Pi-Cyclopentadienylnickel

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
1271-28-9 Bis(1,5-Cyclopentadienyl)Nickel ca 100 215-039-0
Hazard Symbols: XN
Risk Phrases: 20/21/22 42/43

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed. May cause sensitization by inhalation and skin contact.Air sensitive.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May cause skin sensitization, an allergic reaction, which becomes evident upon re-exposure to this material.
Causes "nickel itch" which is a dermatitis resulting from sensitization to nickel, which is characterized by skin eruptions, followed by discrete ulcers that may discharge and become crusted, or by eczema.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May cause lung damage. In rare instances, exposure may cause sensitization, resulting in inflammation of the mucous membranes and in eczematous eruptions.
Chronic:
Symptoms of overexposure to nickel can cause sensitization, dermatitis, allergic asthma and pneumonitis.

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.
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:
Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with 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. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
Notes to Physician:

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. Use extinguishing media appropriate to the surrounding fire. Substance is noncombustible.
Extinguishing Media:
Substance is noncombustible; use agent most appropriate to extinguish surrounding fire. 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:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation. Place under an inert atmosphere.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Handle under an inert atmosphere. Store protected from air.
Storage:
Keep under a nitrogen blanket. Store in a cool, dry, well-ventilated area away from incompatible substances. Do not expose to air. 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# 1271-28-9: United States OSHA: 1 mg/m3 TWA (as Ni) (listed under Nickel sol compounds).
Belgium - TWA: (listed as nickel soluble compounds): 0.1 mg/m3 VL (as Ni) Malaysia: (listed as nickel soluble compounds): 0.1 mg/m3 TWA (inhalable fraction, as Ni) Netherlands: (listed as nickel soluble compounds): 0.1 mg/m3 MAC Ni) Spain: (listed as nickel soluble compounds): 0.1 mg/m3 VLA-ED (as 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 - green - orange
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 171 - 173 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Insoluble.
Specific Gravity/Density:
Molecular Formula: C10H10Ni
Molecular Weight: 188.76

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, dust generation, exposure to air, excess heat.
Incompatibilities with Other Materials:
Air, strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nickel oxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 1271-28-9: QR6500000 LD50/LC50:
CAS# 1271-28-9: Oral, mouse: LD50 = 600 mg/kg; Oral, rat: LD50 = 490 mg/kg.
Carcinogenicity:
Bis(1,5-Cyclopentadienyl)Nickel - California: carcinogen, initial date 10/1/89 NTP: Known carcinogen (listed as Nickel compounds).
IARC: Group 1 carcinogen (listed as Nickel compounds).
Other:
See actual entry in RTECS for complete information.

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
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: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 42/43 May cause sensitization by inhalation and
skin contact.
Safety Phrases:
S 22 Do not breathe dust.
S 24 Avoid contact with skin.
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37 Wear suitable protective clothing and
gloves.
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# 1271-28-9: No information available.
Canada
CAS# 1271-28-9 is listed on Canada's NDSL List.
CAS# 1271-28-9 is listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1271-28-9 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:188.013599Da

8、标称质量:188Da

9、平均质量:188.8798Da

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

上下游相关产品

上游产品

更多
  • 542-92-7

    环戊二烯

  • 13463-39-3

    羰基镍

  • 7440-02-0

  • 79361-89-0

    (η-5C5H5)Ni(dppe)

  • 79361-90-3

    (η5-C5H5)Ni(P(C6H5)3)2

下游产品

更多
  • 7440-43-9

  • 287-92-3

    环戊烷

  • 7440-02-0

  • 542-92-7

    环戊二烯

  • 142-29-0

    环戊烯

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便