[1,2-双(二苯基膦)乙烷]二氯钴(II) | 18498-01-6

• 物质功能分类: 有机原料 - 有机膦化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: [1,2-双(二苯基膦)乙烷]二氯钴(II)
• 中文别名: [1,2-二(二苯基膦基)乙烷]二氯钴(Ⅱ)；[1,2-双(二苯基膦)乙烷]二氯化钴(II)；[1,2-双(二苯基磷)乙烷]二氯钴
• 英文名称: Co(dppe)Cl₂
• 英文别名: Co(1,2-bis-(diphenylphosphino)ethane)Cl₂；CoCl2dppe；[DPPE]CoCl₂；cobalt(2+);2-diphenylphosphanylethyl(diphenyl)phosphane;dichloride
• CAS: 18498-01-6
• 化学式: C₂₆H₂₄Cl₂CoP₂
• 分子量: 528.323
• InChiKey: SYTWXWRJCLAZFP-UHFFFAOYSA-L

物化性质

• 熔点：
  260 °C (dec.)(lit.)
• 稳定性/保质期：
  按规定使用不会分解，避免接触氧化剂和潮湿环境。

计算性质

• 辛醇/水分配系数(LogP)：
  6.63
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

安全信息

• 危险品标志：
  Xn
• 危险类别码：
  R20/21/22,R36/37/38
• WGK Germany：
  3
• 安全说明：
  S26,S37/39
• 危险标志：
  GHS07
• 危险性描述：
  H302,H312,H315,H319,H332,H335
• 危险性防范说明：
  P261,P280,P305 + P351 + P338

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : [1,2-Bis(diphenylphosphino)ethane]dichlorocobalt(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. : 18498-01-6
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Acute toxicity, Inhalation (Category 4), H332
Acute toxicity, Dermal (Category 4), H312
Acute toxicity, Oral (Category 4), H302
Skin irritation (Category 2), H315
Eye irritation (Category 2), H319
Specific target organ toxicity - single exposure (Category 3), H335
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
Xn Harmful R20/21/22, R36/37/38
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)
H302 Harmful if swallowed.
H312 Harmful in contact with skin.
H315 Causes skin irritation.
H319 Causes serious eye irritation.
H332 Harmful if inhaled.
H335 May cause respiratory irritation.
Precautionary statement(s)
P261 Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P280 Wear protective gloves/ protective clothing.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazard none
Statements
Other hazards - none

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SECTION 3: Composition/information on ingredients
Substances
Formula : C26H24Cl2CoP2
Molecular Weight : 528,26 g/mol
CAS-No. : 18498-01-6
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
[1,2-Bis(diphenylphosphino)ethane]dichlorocobalt(II)
CAS-No. 18498-01-6 Acute Tox. 4; Skin Irrit. 2; Eye <= 100 %
Irrit. 2; STOT SE 3; H302,
H312, H315, H319, H332,
H335
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
[1,2-Bis(diphenylphosphino)ethane]dichlorocobalt(II)
CAS-No. 18498-01-6 Xn, R20/21/22 - R36/37/38 <= 100 %
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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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
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
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

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SECTION 5: Firefighting 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, Cobalt/cobalt oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure
adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

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SECTION 7: Handling and storage
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.
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.
Moisture sensitive.
Specific end use(s)
A part from the uses mentioned in section 1.2 no other specific uses are stipulated

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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.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
Use respirators and components tested and approved under appropriate government standards
such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Do not let product enter drains.

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SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) Appearance Form: powder
Colour: green
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: 260 °C - dec.
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

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

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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
Inhalation - May cause respiratory irritation.
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.

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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

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SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Dissolve or mix the material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

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SECTION 14: Transport information
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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SECTION 15 - REGULATORY INFORMATION
N/A

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  [1,2-双(二苯基膦)乙烷]二氯钴(II) 、 sodium thiophenolate 在 Se 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以71%的产率得到Co2(Ph2CH2CH2Ph2)(μ-SPh)3SPh
  参考文献：
  名称：

  Synthesis and X-ray structure of an asymmetrical dicobalt(II) complex Co₂(dppe)(µ-SPh)₃SPh (dppe = Ph₂PCH₂CH₂PPh₂)

  摘要：

  我们制备了一种不对称的双核钴配合物 Co2(dppe)(µ-SPh)3SPh（dppe = Ph2PCH2CH2PPh2），并通过 X 射线衍射对其进行了表征，显示出两个钴（II）原子完全不同的几何环境。

  DOI：

  10.1039/c39890001839
• 作为产物：
  描述：

  cobalt(II) chloride hexahydrate 、 1,2-双(二苯基膦)乙烷 以 四氢呋喃 为溶剂， 以93%的产率得到[1,2-双(二苯基膦)乙烷]二氯钴(II)
  参考文献：
  名称：

  吡啶硫醇钴络合物将CO2均相电化学还原为CO。

  摘要：

  从化学和电化学方式将CO2还原为增值化学品需要开发高效和选择性的催化剂。揭示了一种空气稳定的二苯基膦腈钴-双（2-吡啶硫醇盐）氯化物氯化钴[（Co（dppe）（2-PyS）2} Cl，1-Cl]的合成，表征和电化学还原CO2的活性。该络合物在均相电催化条件下还原CO2，从而产生高法拉第效率（FE> 92％）和在水存在下具有选择性的CO。通过详细的电化学研究，产物分析和理论研究支持的机理研究，确定了复杂的1-Cl在其Co（I）状态下还原了CO2。还原性切割导致悬垂的质子化吡啶臂，该臂能够通过氢键供体轻松地结合CO2，并通过定向质子化促进CO键的裂解。该催化剂的系统基准测试表明，该催化剂具有适度的过电势（〜180 mV），TOF为〜20 s-1，用于使用H2O作为质子源将CO2选择性还原为CO。

  DOI：

  10.1021/acs.inorgchem.9b03056
• 作为试剂：
  描述：

  magnesium,2H-thiophen-2-ide,bromide 、 3-(2-Bromo-1-butoxy-ethoxy)-oct-1-ene 在 [1,2-双(二苯基膦)乙烷]二氯钴(II) 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以63%的产率得到
  参考文献：
  名称：

  钴催化的串联自由基的环化和交叉偶联反应：其在苄基取代的杂环中的应用。

  摘要：

  DOI：

  10.1021/ja0100423

文献信息

• Distortion and electronic structure of ordered C60•− radical anions in the salt with {CoI(dppe)2CO}+ cations (dppe: 1,2-bis(diphenylphosphino)ethane)
  作者：Dmitri V. Konarev、Alexey V. Kuzmin、Mikhail G. Andronov、Salavat S. Khasanov、Mikhail S. Batov、Akihiro Otsuka、Hideki Yamochi、Hiroshi Kitagawa、Rimma N. Lyubovskaya

  DOI：10.1016/j.ica.2018.08.046

  日期：2018.11

  ellipsoidal distortions (elongation of the cage is only 0.016 A). Calculations of electronic structure of C60•− by the extended Huckel method showed splitting of the C60 LUMO into three levels. Two levels are located by 589 and 887 cm−1 above the ground level. The CoI(dppe)2CO+ cations are diamagnetic, and magnetic susceptibility of 1 is defined only by C60•−. Magnetic moment of 1 is 1.86 μB at 300 K. The

  摘要在C60处获得了自由基阴离子盐CoI（dppe）2CO} +（C60•-）⋅0.5C6H4Cl2⋅0.5C6H14（1，dppe：双（二苯基膦基）乙烷），NaCpCo（一氧化碳）2。钴位于CoI（dppe）2CO} +中的三角形双锥体的中心，具有两个磷和一个碳赤道原子和两个轴向磷原子，平均Co-P距离为2.2542（6）和2.2180（6）A，分别。盐是有序富勒烯笼结构的罕见例子，该结构显示出较小的椭圆形变形（笼的伸长率仅为0.016 A）。用扩展的Huckel方法计算C60•-的电子结构表明C60 LUMO分为三个级别。两层位于地面以上589和887 cm-1处。CoI（dppe）2CO +阳离子是反磁性的，磁化率1仅由C60•-定义。1的磁矩在300 K时为1.86μB。盐显示g = 1.9996的EPR信号，在295 K时的线宽为6.93 mT。随着温度降低，EPR信号移至较
• Catalytic Enantioselective Hetero-dimerization of Acrylates and 1,3-Dienes
  作者：Stanley M. Jing、Vagulejan Balasanthiran、Vinayak Pagar、Judith C. Gallucci、T. V. RajanBabu

  DOI：10.1021/jacs.7b10055

  日期：2017.12.13

  counterion, and solvent effects uncovered during the course of these investigations show a unique role of a possible cationic Co(I) intermediate in these reactions. The rational evolution of a mechanism-based strategy that led to the eventual successful outcome and the attendant support studies may have further implications for the expanding use of low-valent group 9 metal complexes in organic synthesis

  1,3-二烯是普遍存在且易于合成的有机合成原料，丙烯酸烷基酯是最丰富且最便宜的原料碳源之一。据报道，这两种容易获得的前体的实用的、高度对映选择性的结合产生了有价值的、对映纯的跳过的1,4-二烯酯（具有两个构型确定的双键）。该过程使用市售的钴盐和手性配体。正如使用 20 种不同的底物（包括 17 种前手性 1,3-二烯和 3 种丙烯酸酯）所示，这种异二聚反应能够耐受许多常见的有机官能团（例如芳香族取代基、卤化物、分离的单和双官能团）。 -取代的双键、酯、甲硅烷基醚和甲硅烷基烯醇醚）。在这些研究过程中发现的配体、抗衡离子和溶剂效应等新颖结果表明，可能的阳离子 Co(I) 中间体在这些反应中具有独特的作用。导致最终成功结果的基于机制的策略的合理演变以及随之而来的支持研究可能会对低价第 9 族金属配合物在有机合成中的广泛使用产生进一步的影响。
• The synthesis of new bimetallic complex salts by halide/sulfur chelate cross transfer: X-ray crystal structures of the salts [Ni(S2CNEt2)(dppe)]2[HgBr4], [Pt(S2CNEt2)(dppe)]2[CdCl4], [Co(S2CNEt2)2(dppe)]2[Cl3ZnO:(Ph)2PCH2CH2P(Ph)2:OZnCl3] and [Pd(S2CNnBu2)(bipy)]2[CdCl4]
  作者：George Exarchos、Stephen D Robinson、Jonathan W Steed

  DOI：10.1016/s0277-5387(01)00885-3

  日期：2001.11

  [Zn(S2CNEt2)2] in the presence of (S2CNEt2)2 affords the novel complex [Co(S2CNEt2)2(dppe)]2[Cl3ZnO:(Ph)2PCH2CH2P(Ph)2:OZnCl3]. A selection of these salts have been fully characterised by elemental analysis and spectroscopic techniques, the remainder have been identified by spectroscopic methods alone. X-ray crystal structures are reported for the salts [Ni(S2CNEt2)(dppe)]2 [HgBr4], [Pt(S2CNEt2)(dppe)]2[CdCl4]

  摘要镍和铂配合物[MX2（dppe）]（X = Cl，Br）与二价和三价金属二乙基二硫代氨基甲酸酯[M'（S2CNEt2）n]（M'= Pb，Zn，Cd，Hg，Ni ，MoO 2，VO，n ＝ 2； M′＝ Co，Fe，Mn，n ＝ 3）得到盐[M（S 2 CNEt 2）（dppe）] 2 [M′X 4]；涉及[Cu（S2CNEt2）2]和[Ag（S2CNEt2）]的反应生成的盐形式为[M（S2CNEt2）（dppe）] [M'X2]（M'= Cu，Ag）。顺式[RuCl2（dppm）2]，[CoCl2（dppe）]和[PdX2（bipy）]络合物同样与相同的二硫代氨基甲酸酯反应形成盐[Ru（S2CNEt2）（dppe）2] 2 [M'Cl4] [ Co（S2CNEt2）2（dppe）] 2 [M'Cl4]和[Pd（S2CNnBu2）（bipy）] 2 [M'X4]。涉及其他S-螯合物的配
• Synthesis of 12-vertex mixed ligand closo-cobaltacarborane complexes and molecular structure of [3,3-(Ph2P(CH2)2PPh2)-3-Cl-closo-3,1,2-CoC2B9H11]
  作者：A. P. Tyurin、A. F. Smol’yakov、F. M. Dolgushin、I. A. Godovikov、I. T. Chizhevsky

  DOI：10.1007/s11172-013-0280-1

  日期：2013.8

  A reaction of complexes CoCl2(dppe) (dppe is the 1,2-bis(diphenylphosphino)ethane) or CoCl2(dppp) (dppp is the 1,3-bis(diphenylphosphino)propane) with [K][7,8-nido-C2B9H12] upon reflux in benzene led to the mixed ligand closo-cobaltacarboranes [3,3-(Ph2P(CH2) n PPh2)-3-Cl-closo-3,1,2-CoIIIC2B9H11] (n = 2 and 3, respectively) in moderate yields (34 and 16%). The structure of the 18-electron complexes in solution and the solid state was studied by NMR and IR spectroscopy, the structure in the case of the closo-complex with dppe-ligand was confirmed by X-ray crystallography.

  复合物 CoCl2(dppe)（dppe 是 1,2-双（二苯基膦）乙烷）或 CoCl2(dppp)（dppp 是 1,3-双（二苯基膦）丙烷）与 [K][7、8-硝基-C2B9H12]在苯中回流后，得到混合配体闭合钴硼烷[3,3-(Ph2P(CH2) n PPh2)-3-Cl-closo-3,1,2-CoIIIC2B9H11] （n = 2 和 3，分别为 34% 和 16%），收率中等。通过核磁共振和红外光谱研究了 18 电子络合物在溶液和固态中的结构，并通过 X 射线晶体学证实了与 dppe 配体的闭合络合物的结构。
• Cobalt-catalysed asymmetric hydrovinylation of 1,3-dienes
  作者：Yam N. Timsina、Rakesh K. Sharma、T. V. RajanBabu

  DOI：10.1039/c5sc00929d

  日期：——

  of bidentate 1,n-bis-diphenylphosphinoalkane-CoCl2 complexes Cl2Co[P~P]} and Me3Al or methylaluminoxane, acyclic (E)-1,3-dienes react with ethylene (1 atmosphere) to give excellent yields of hydrovinylation products. The regioselectivity (1,4- or...

  在双齿 1,n-双-二苯基膦烷-CoCl2 络合物 Cl2Co[P~P]} 和 Me3Al 或甲基铝氧烷存在下，无环 (E)-1,3-二烯与乙烯（1 个大气压）反应，得到优异的产率氢乙烯基化产物。区域选择性（1,4-或...