双-(2-甲基烯丙基)环辛-1,5-二烯钌

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 下游产品

双-(2-甲基烯丙基)环辛-1,5-二烯钌 基本信息

中文名称:
双-(2-甲基烯丙基)环辛-1,5-二烯钌 
中文别名:
双(2-甲基烯丙基)(1,5-环辛二烯)钌(II);
二(2-甲基烯丙基)(1,5-环辛二烯)钌(II);
双-(2-甲基烯丙基)环辛-1,5-二烯钌 
英文名称:
Ruthenium, [(1,2,5,6-h)-1,5-cyclooctadiene]bis[(1,2,3-h)-2-methyl-2-propenyl]- (9CI)
英文别名:
Bis(2-methylallyl)(1,5-cyclooctadiene)ruthenium(II);
Bis(2-methylallyl)-1,5-cyclooctadieneruthenium (II);
(1,5-Cyclooctadiene)bis(2-methylallyl)ruthenium (Bis(2-methallyl)(1,5-cyclooctadiene)ruthenium;
Ruthenium II Cyclooctadiene Bis-(2,2,6,6-Tetramethylheptanedionate);
(1Z,5Z)-cycloocta-1,5-diene,2-methanidylprop-1-ene,ruthenium(2+);
Bis-(2-methylallyl)cycloocta-1,5-diene ruthenium(II) complex 
CAS No.:
12289-94-0
分 子 式:
C16H26Ru
分 子 量:
319.45
精确分子量:
320.10800
PSA:
0.00000
MDL:
MFCD00216965
InChI:
InChI=1/C8H12.2C4H7.Ru/c1-2-4-6-8-7-5-3-1;2*1-4(2)3;/h1-2,7-8H,3-6H2;2*1-2H2,3H3;/b2-1-,8-7-;;;/rC8H14Ru.C8H12/c1-7(2)5-9-6-8(3)4;1-2-4-6-8-7-5-3-1/h1,3,5-6H2,2,4H3;1-2,7-8H,3-6H2/b;2-1-,8-7-
危险品标志:
HarmfulXnFlammableF
风险术语:
R20/21/22;R15
安全术语:
S36/37;S43
分子结构式:
SDS:
查看

双-(2-甲基烯丙基)环辛-1,5-二烯钌 物化性质

熔点:
81-85ºC
沸点:
100ºC/0.05mmHg
存储条件/存储方法:

2-8°C密闭、阴凉干燥处

稳定性相关:

避免的物料

/潮湿 空气

其它信息:

1.       性状:未确定

2.       密度(g/mL,20):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):81-85

5.       沸点(ºC,常压):未确定

6.       沸点(ºC0.05mmHg):100

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(20ºC):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:未确定

 

双-(2-甲基烯丙基)环辛-1,5-二烯钌 安全信息

包装等级:
III
风险类别:
4.3
危险类别码:
R20/21/22
安全说明:
S36/37
安全标志:
S43:灭火时使用...(某种合适的灭火装置名称)。
危险标志:
Xn,F

双-(2-甲基烯丙基)环辛-1,5-二烯钌 毒理性

毒理学数据:

主要的刺激性影响:

在皮肤上面:刺激皮肤和粘膜

在眼睛上面:刺激的影响

致敏作用:没有已知的敏化现象

生态数据:

通常对水体是稍微有害的,不要将未稀释或大量产品接触地下水,水道或污水系统,未经政府许可勿将材料排入周围环境。

双-(2-甲基烯丙基)环辛-1,5-二烯钌 MSDS


SECTION 1: Identification of the substance/mixture and of the company/undertaking
  Product identifiers
    Product name        : Bis(2-methylallyl)(1,5-cyclooctadiene)ruthenium(II)    
    REACH No.        : A registration number is not available for this substance as the substance    
    or its uses are exempted from registration, the annual tonnage does not
    require a registration or the registration is envisaged for a later
    registration deadline.
    CAS-No.        : 12289-94-0    
  Relevant identified uses of the substance or mixture and uses advised against
    Identified uses        : Laboratory chemicals, Manufacture of substances    
  
  

SECTION 2: Hazards identification
  Classification of the substance or mixture
  Classification according to Regulation (EC) No 1272/2008
    Substances, which in contact with water, emit flammable gases (Category 3), H261
    For the full text of the H-Statements mentioned in this Section, see Section 16.
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    F Highly flammable        R15    
    For the full text of the R-phrases mentioned in this Section, see Section 16.
  Label elements
  Labelling according Regulation (EC) No 1272/2008
    Pictogram
    Signal word        Warning    
    Hazard statement(s)
    H261        In contact with water releases flammable gases.    
    Precautionary statement(s)
    P231 + P232        Handle under inert gas. Protect from moisture.    
    P422        Store contents under inert gas.    
    Supplemental Hazard        none    
    Statements
  Other hazards - none

SECTION 3: Composition/information on ingredients
  Substances
    Synonyms        : Ruthenium(II) bis(2-methylallyl) 1,5-cyclooctadiene complex    
    Formula        : C16H26Ru    
    Molecular Weight        : 319,45 g/mol    
    CAS-No.        : 12289-94-0    
    No components need to be disclosed according to the applicable regulations.
    For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

SECTION 4: First aid measures
  Description of first aid measures
  General advice
    Consult a physician. Show this safety data sheet to the doctor in attendance.
  If inhaled
    If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
  In case of skin contact
    Wash off with soap and plenty of water. Consult a physician.
  In case of eye contact
    Flush eyes with water as a precaution.
  If swallowed
    Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
  Most important symptoms and effects, both acute and delayed
    The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
    section 11
  Indication of any immediate medical attention and special treatment needed
    no data available

SECTION 5: Firefighting measures
  Extinguishing media
  Suitable extinguishing media
    Dry powder Carbon dioxide (CO2)
  Unsuitable extinguishing media
    Water
  Special hazards arising from the substance or mixture
    Carbon oxides, Ruthenium oxide
  Advice for firefighters
    Wear self contained breathing apparatus for fire fighting if necessary.
  Further information
    no data available

SECTION 6: Accidental release measures
  Personal precautions, protective equipment and emergency procedures
    Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate
    personnel to safe areas.
    For personal protection see section 8.
  Environmental precautions
    Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
  Methods and materials for containment and cleaning up
    Sweep up and shovel. Contain spillage, and then collect with an electrically protected vacuum cleaner or
    by wet-brushing and place in container for disposal according to local regulations (see section 13). Do
    not flush with water. Keep in suitable, closed containers for disposal.
  Reference to other sections
    For disposal see section 13.

SECTION 7: Handling and storage
  Precautions for safe handling
    Provide appropriate exhaust ventilation at places where dust is formed.Keep away from sources of ignition
    - No smoking.
    For precautions see section 2.2.
  Conditions for safe storage, including any incompatibilities
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
    Never allow product to get in contact with water during storage.
    Recommended storage temperature: -20 °C
    Air and moisture sensitive. Handle and store under inert gas.
  Specific end use(s)
    Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
  Control parameters
  Components with workplace control parameters
  Exposure controls
  Appropriate engineering controls
    Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
    at the end of workday.
  Personal protective equipment
  Eye/face protection
    Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested
    and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
  Skin protection
    Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
    (without touching glove's outer surface) to avoid skin contact with this product. Dispose of
    contaminated gloves after use in accordance with applicable laws and good laboratory practices.
    Wash and dry hands.
    The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
    the standard EN 374 derived from it.
    Full contact
    Material: Nitrile rubber
    Minimum layer thickness: 0,11 mm
    Break through time: 480 min
    Material tested:Dermatril® (KCL 740 / Z677272, Size M)
    Splash contact
    Material: Nitrile rubber
    Minimum layer thickness: 0,11 mm
    Break through time: 480 min
    Material tested:Dermatril® (KCL 740 / Z677272, Size M)
    data source: KCL GmbH, D-36124 Eichenzell, phone +49 (0)6659 87300,     test method: EN374
    If used in solution, or mixed with other substances, and under conditions which differ from EN 374,
    contact the supplier of the CE approved gloves. This recommendation is advisory only and must
    be evaluated by an industrial hygienist and safety officer familiar with the specific situation of
    anticipated use by our customers. It should not be construed as offering an approval for any
    specific use scenario.
  Body Protection
    Flame retardant protective clothing, The type of protective equipment must be selected according
    to the concentration and amount of the dangerous substance at the specific workplace.
  Respiratory protection
    Where risk assessment shows air-purifying respirators are appropriate use a full-face particle
    respirator type N100 (US) or type P3 (EN 143) respirator cartridges as a backup to engineering
    controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use
    respirators and components tested and approved under appropriate government standards such
    as NIOSH (US) or CEN (EU).
  Control of environmental exposure
    Prevent further leakage or spillage if safe to do so. Do not let product enter drains.

SECTION 9: Physical and chemical properties
  Information on basic physical and chemical properties
    a) Appearance        Form: solid    
    b) Odour        no data available    
    c) Odour Threshold        no data available    
    d) pH        no data available    
    e) Melting point/freezing        Melting point/range: 81,7 - 82,4 °C - lit.    
    point
    f) Initial boiling point and no data available
    boiling range
    g) Flash point        no data available    
    h) Evapouration rate        no data available    
    i) Flammability (solid, gas) no data available
    j) Upper/lower        no data available    
    flammability or
    explosive limits
    k) Vapour pressure        no data available    
    l) Vapour density        no data available    
    m) Relative density        no data available    
    n) Water solubility        no data available    
    o) Partition coefficient: n- no data available
    octanol/water
    p) Auto-ignition        no data available    
    temperature
    q) Decomposition        no data available    
    temperature
    r) Viscosity        no data available    
    s) Explosive properties        no data available    
    t) Oxidizing properties        no data available    
  Other safety information
    no data available

SECTION 10: Stability and reactivity
  Reactivity
    no data available
  Chemical stability
    Stable under recommended storage conditions.
  Possibility of hazardous reactions
    Reacts violently with water.
  Conditions to avoid
    Exposure to moisture.
  Incompatible materials
    Strong oxidizing agents
  Hazardous decomposition products
    Other decomposition products - no data available
    In the event of fire: see section 5

SECTION 11: Toxicological information
  Information on toxicological effects
  Acute toxicity
    no data available
  Skin corrosion/irritation
    no data available
  Serious eye damage/eye irritation
    no data available
  Respiratory or skin sensitisation
    no data available
  Germ cell mutagenicity
    no data available
  Carcinogenicity
    IARC:        No component of this product present at levels greater than or equal to 0.1% is identified as    
    probable, possible or confirmed human carcinogen by IARC.
  Reproductive toxicity
    no data available
  Specific target organ toxicity - single exposure
    no data available
  Specific target organ toxicity - repeated exposure
    no data available
  Aspiration hazard
    no data available
  Additional Information
    RTECS: Not available
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.

SECTION 12: Ecological information
  Toxicity
    no data available
  Persistence and degradability
    no data available
  Bioaccumulative potential
    no data available
  Mobility in soil
    no data available
  Results of PBT and vPvB assessment
    PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
  Other adverse effects
    no data available

SECTION 13: Disposal considerations
  Waste treatment methods
  Product
    Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting
    as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal
    company. Contact a licensed professional waste disposal service to dispose of this material.
  Contaminated packaging
    Dispose of as unused product.

SECTION 14: Transport information
  UN number
    ADR/RID: 3395        IMDG: 3395        IATA: 3395    
  UN proper shipping name
    ADR/RID: ORGANOMETALLIC SUBSTANCE, SOLID, WATER-REACTIVE (Bis(2-methylallyl)(1,5-
    cyclooctadiene)ruthenium(II))
    IMDG: ORGANOMETALLIC SUBSTANCE, SOLID, WATER-REACTIVE (Bis(2-methylallyl)(1,5-
    cyclooctadiene)ruthenium(II))
    IATA:        Organometallic substance, solid, water-reactive (Bis(2-methylallyl)(1,5-    
    cyclooctadiene)ruthenium(II))
  Transport hazard class(es)
    ADR/RID: 4.3        IMDG: 4.3        IATA: 4.3    
  Packaging group
    ADR/RID: III        IMDG: III        IATA: III    
  Environmental hazards
    ADR/RID: no        IMDG Marine pollutant: no        IATA: no    
  Special precautions for user
    no data available

SECTION 15: Regulatory information
    This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
  Safety, health and environmental regulations/legislation specific for the substance or mixture
    no data available
  Chemical Safety Assessment
    For this product a chemical safety assessment was not carried out

SECTION 16: Other information
  Full text of H-Statements referred to under sections 2 and 3.
    H261        In contact with water releases flammable gases.    
  Full text of R-phrases referred to under sections 2 and 3
    R15 Contact with water liberates extremely flammable gases.
  Further information
    Copyright 2014 Co. LLC. License granted to make unlimited paper copies for internal use
    only.
    The above information is believed to be correct but does not purport to be all inclusive and shall be
    used only as a guide. The information in this document is based on the present state of our knowledge
    and is applicable to the product with regard to appropriate safety precautions. It does not represent any
    guarantee of the properties of the product. Corporation and its Affiliates shall not be held
    liable for any damage resulting from handling or from contact with the above product. See
     and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

双-(2-甲基烯丙基)环辛-1,5-二烯钌 分子结构与计算化学数据

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:320.107839 Da

8、标称质量:320 Da

9、平均质量:319.4476 Da

计算化学数据

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:2

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积0

7.重原子数量:17

8.表面电荷:0

9.复杂度:143

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:2

14.不确定化学键立构中心数量:0

15.共价键单元数量:4

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