二氯(邻异丙氧基苯基亚甲基)(三环己基膦)钌

  • 基本信息
  • 物化性质
  • MSDS
  • 结构与计算化学
  • 上游产品

二氯(邻异丙氧基苯基亚甲基)(三环己基膦)钌 基本信息

中文名称:
二氯(邻异丙氧基苯基亚甲基)(三环己基膦)钌 
中文别名:
二氯(邻异丙氧基苯基亚甲基)(三环己基膦)钌(II);
二氯(邻异丙氧基苯基亚甲基)(三环己基膦)钌;
第1代Hoveyda-Grubbs催化剂 
英文名称:
Ruthenium,dichloro[[2-(1-methylethoxy-kO)phenyl]methylene-kC](tricyclohexylphosphine)-,(SP-5-41)-
英文别名:
dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium,tricyclohexylphosphane;
Dichloro(2-isopropoxyphenylmethylene)(tricyclohexylphosphine)ruthenium (II);
Hoveyda-Grubbs Catalyst 1st Generation;
Dichloro(o-isopropoxyphenylmethylene)(tricyclohexylphosphine)ruthenium(II);
Hoveyda-Grubbs first generation catalyst;
dichloro(tricyclohexylphosphine)-(o-isopropoxy-phenylmethylene)ruthenium(II) 
CAS No.:
203714-71-0
分 子 式:
C28H45Cl2OPRu
分 子 量:
600.61
精确分子量:
600.16300
PSA:
22.82000
MDL:
MFCD03453042
InChI:
InChI=1/C18H33P.C10H12O.2ClH.Ru/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8(2)11-10-7-5-4-6-9(10)3;;;/h16-18H,1-15H2;3-8H,1-2H3;2*1H;/q;;;;+2/p-2/rC18H33P.C10H12Cl2ORu/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-8(2)13-10-6
分子结构式:
SDS:
查看

二氯(邻异丙氧基苯基亚甲基)(三环己基膦)钌 物化性质

熔点:
195-197ºC(lit.)
沸点:
383.4ºC at 760 mmHg
闪点:
195.6ºC
蒸汽压:
9.7E-06mmHg at 25°C
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。避免与空气,光照接触。常用惰性气体保护。

稳定性相关:

常温常压下稳定,避免与强氧化剂,酸,碱接触。

其它信息:

1.      性状:棕色固体

2.      密度(g/mL,25):未确定

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):195-197

5.      沸点(ºC,常压):未确定

6.      沸点(ºC0.2mmHg):未确定

7.      折射率(n20/D):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(mmHg,20ºC):未确定

12.   饱和蒸气压(kPa,25ºC):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

二氯(邻异丙氧基苯基亚甲基)(三环己基膦)钌 MSDS


Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
  Product identifiers
    Product name        : Hoveyda-Grubbs Catalyst 1st Generation    
    CAS-No.        : 203714-71-0    
  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 [EU-GHS/CLP]
    Flammable solids (Category 2)
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    Highly flammable.
  Label elements
  Labelling according Regulation (EC) No 1272/2008 [CLP]
    Pictogram
    Signal word        Warning    
    Hazard statement(s)
    H228        Flammable solid    
    Precautionary statement(s)
    P210        Keep away from heat/sparks/open flames/hot surfaces. - No smoking.    
    Supplemental Hazard        none    
    Statements
  According to European Directive 67/548/EEC as amended.
    Hazard symbol(s)
    R-phrase(s)
    R11        Highly flammable.    
    S-phrase(s)        none    
  Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substances
    Synonyms        : Dichloro(o-    
    isopropoxyphenylmethylene)(tricyclohexylphosphine)ruthenium(II)
    Formula        : C28H45Cl2OPRu    
    Molecular Weight        : 600,61 g/mol    
    Component        Concentration    
  Dichloro(o-isopropoxyphenylmethylene)(tricyclohexylphosphine)ruthenium(II)
    CAS-No.        203714-71-0        -    

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
    Do NOT induce vomiting. 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
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly
    investigated.
  Indication of any immediate medical attention and special treatment needed
    no data available

Section 5. FIRE-FIGHTING MEASURES
  Extinguishing media
  Suitable extinguishing media
    Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
  Special hazards arising from the substance or mixture
    Carbon oxides, Oxides of phosphorus, Hydrogen chloride gas, Ruthenium oxide
  Advice for firefighters
    Wear self contained breathing apparatus for fire fighting if necessary.
  Further information
    Use water spray to cool unopened containers.

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions, protective equipment and emergency procedures
    Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Remove all
    sources of ignition. Evacuate personnel to safe areas.
  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). Keep in
    suitable, closed containers for disposal. Contain spillage, pick up with an electrically protected vacuum
    cleaner or by wet-brushing and transfer to a container for disposal according to local regulations (see
    section 13).
  Reference to other sections
    For disposal see section 13.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
    Avoid formation of dust and aerosols.
    Provide appropriate exhaust ventilation at places where dust is formed.Keep away from sources of ignition -
    No smoking.Take measures to prevent the build up of electrostatic charge.
  Conditions for safe storage, including any incompatibilities
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
    Recommended storage temperature: 2 - 8 °C
    Handle and store under inert gas. Light sensitive. Air sensitive.
  Specific end uses
    no data available

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
    The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the
    standard EN 374 derived from it.
    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.
  Body Protection
    Flame retardant antistatic 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).

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Information on basic physical and chemical properties
    a) Appearance        Form: solid    
    Colour: brown
    b) Odour        no data available    
    c) Odour Threshold        no data available    
    d) pH        no data available    
    e) Melting point/freezing        Melting point/range: 195 - 197 °C - lit.    
    point
    f) Initial boiling point and no data available
    boiling range
    g) Flash point        no data available    
    h) Evaporation rate        no data available    
    i) Flammability (solid, gas) The substance or mixture is a flammable solid with the subcategory 2.
    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) Autoignition        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
    no data available
  Possibility of hazardous reactions
    no data available
  Conditions to avoid
    Heat, flames and sparks. Extremes of temperature and direct sunlight.
  Incompatible materials
    Strong oxidizing agents, acids, Bases
  Hazardous decomposition products
    Other decomposition products - no data available

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 sensitization
    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
  Potential health effects
  Inhalation        May be harmful if inhaled. May cause respiratory tract irritation.    
  Ingestion        May be harmful if swallowed.    
  Skin        May be harmful if absorbed through skin. May cause skin irritation.    
  Eyes        May cause eye irritation.    
  Signs and Symptoms of Exposure
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly
    investigated.
  Additional Information
    RTECS: Not available

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
    no data available
  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.
  Contaminated packaging
    Dispose of as unused product.

Section 14. TRANSPORT INFORMATION
  UN number
    ADR/RID: 1325        IMDG: 1325        IATA: 1325    
  UN proper shipping name
    ADR/RID: FLAMMABLE SOLID, ORGANIC, N.O.S. (Dichloro(o-
    isopropoxyphenylmethylene)(tricyclohexylphosphine)ruthenium(II))
    IMDG: FLAMMABLE SOLID, ORGANIC, N.O.S. (Dichloro(o-
    isopropoxyphenylmethylene)(tricyclohexylphosphine)ruthenium(II))
    IATA:        Flammable solid, organic, n.o.s. (Dichloro(o-    
    isopropoxyphenylmethylene)(tricyclohexylphosphine)ruthenium(II))
  Transport hazard class(es)
    ADR/RID: 4.1        IMDG: 4.1        IATA: 4.1    
  Packaging group
    ADR/RID: II        IMDG: II        IATA: II    
  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
    no data available

Section 16. OTHER INFORMATION
  Further information
    Copyright 2011 Co. 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. Co., shall not be held liable for any damage
    resulting from handling or from contact with the above product. See reverse side of invoice or packing slip
    for additional terms and conditions of sale.

二氯(邻异丙氧基苯基亚甲基)(三环己基膦)钌 分子结构与计算化学数据

分子结构数据

1、   疏水参数计算参考值(XlogP):

2、   氢键供体数量:0

3、   氢键受体数量:1

4、   可旋转化学键数量:6

5、   互变异构体数量:

6、   拓扑分子极性表面积(TPSA):9.2

7、   重原子数量:33

8、   表面电荷:0

9、   复杂度:404

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:0

14、不确定化学键立构中心数量:0

15、共价键单元数量:2

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:1

4.可旋转化学键数量:6

5.互变异构体数量:无

6.拓扑分子极性表面积9.2

7.重原子数量:33

8.表面电荷:0

9.复杂度:404

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:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:2

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