三羰基三(丙腈)钼(O) | 103933-26-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 三羰基三(丙腈)钼(O)
• 中文别名: 三羰基三(丙腈)钼
• 英文名称: tris(propionitrile)tricarbonylmolybdenum(0)
• 英文别名: Mo(CO)3(NCEt)3；[molybdenum(carbonyl)3(CH3CH2CN)3]；Mo(CO)3(propionitrile)3；molybdenum(0) tricarbonyl tris(propionitrile)；tris(acetonitrile)molybdenumtricarbonyl；tris(acetonitrile)(tricarbonyl)molybdenum；[Mo(CO)3(EtCN)3]
• CAS: 103933-26-2
• 化学式: C₁₂H₁₅MoN₃O₃
• 分子量: 345.209
• InChiKey: LQKDIRFNATWMAG-UHFFFAOYSA-N

物化性质

• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  2.64
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  74.4
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R20/21/22
• 危险品运输编号：
  UN 3439
• 储存条件：
  应存于阴凉干燥环境之中。

SDS

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Section 1: Product Identification
Chemical Name: Tricarbonyltris(propionitrile)molybdenum (O), min. 95%
CAS Registry Number: 103933-26-2
Formula: Mo(CO)3(NCCH2CH3)3
EINECS Number: none
Chemical Family: metallocene
Synonym: Tripropionitrilemolybdenumtricarbonyl

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title compound 103933-26-2 100% no data no data

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Section 3: Hazards Identification
Emergency Overview: Irritating to skin, eyes and respiratory tract. May be harmful if swallowed.
Primary Routes of Exposure: Inhalation, skin, eyes
Eye Contact: Causes slight to mild irritation of the eyes.
Skin Contact: Causes slight to mild irritation of the skin.
Inhalation: Irritating to the nose, mucous membranes and respiratory tract.
Ingestion: No specific information is available on the physiological effects of ingestion. May be harmful if swallowed.
Acute Health Affects: Irritating to skin, eyes and respiratory tract.
Chronic Health Affects: No information on long-term chronic effects.
NTP: No
IARC: No
OSHA: No

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SECTION 4: First Aid Measures
Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
Eye Exposure:
assistance in keeping their eye lids open. Get immediate medical attention.
Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if
Skin Exposure:
irritation persists.
Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
Inhalation:
in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
Ingestion:
vomiting only if directed by medical personnel.

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SECTION 5: Fire Fighting Measures
Flash Point: no data
Autoignition Temperature: none
Explosion Limits: none
Extinguishing Medium: carbon dioxide, dry powder or foam.
Fire fighters should be equipped with a NIOSH approved positive pressure self-contained breathing apparatus
Special Fire Fighting Procedures:
and full protective clothing.
Hazardous Combustion and If involved in a fire this material may emit toxic fumes.
Decomposion Products:
Unusual Fire or Explosion Hazards: No unusual fire or explosion hazard.

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SECTION 6: Accidental Release Measures
Small spills can be mixed with vermiculite, sodium carbonate or other suitable non combustible adsorbent and
Spill and Leak Procedures:
swept up.

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SECTION 7: Handling and Storage
Keep material in a tightly sealed container. Prolonged exposure to the air will result in degradation of the
Handling and Storage:
product. Handle and store material under an inert atmosphere of nitrogen or argon.

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SECTION 8: Exposure Controls and Personal Protection
Eye Protection: Always wear approved safety glasses when handling a chemical substance in the laboratory.
Skin Protection: Wear protective clothing and gloves.
Ventilation: Handle the material in an efficient fume hood.
If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
Respirator:
Protection Program to be in compliance with 29 CFR 1910.134.
Ventilation: Handle the material in an efficient fume hood.
Additional Protection: No additional protection required.

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SECTION 9: Physical and Chemical Properties
Color and Form: tan powder
Molecular Weight: 345.21
Melting Point: none
Boiling Point: no data
Vapor Pressure: no data
Specific Gravity: no data
Odor: not determined
Solubility in Water: insoluble

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SECTION 10: Stability and Reactivity
Stability: air sensitive, moisture sensitive
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: air and moisture
Incompatibility: strong oxidizing agents
Decomposition Products: carbon monoxide, carbon dioxide, nitrogen oxides, molybdenum oxides and organic fumes

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SECTION 11: Toxicological Information
RTECS Data: No information available in the RTECS files.
Carcinogenic Effects: no data
Mutagenic Effects: no data
Tetratogenic Effects: no data

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SECTION 12: Ecological Information
Ecological Information: No information available

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SECTION 13: Disposal Considerations
Disposal: Dispose of according to federal, state, and local regulations.

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SECTION 14: Transportation
Shipping Name (CFR): Non-hazardous
Hazard Class (CFR): NA
Additional Hazard Class (CFR): NA
Packaging Group (CFR): NA
UN ID Number (CFR): NA
Shipping Name (IATA): Non-hazardous
Hazard Class (IATA): NA
Additional Hazard Class (IATA): NA
Packaging Group (IATA): NA
UN ID Number (IATA): NA

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SECTION 15: Regulatory Information
TSCA: Not listed in the TSCA inventory.
SARA (Title 313): Title compound not listed.
Second Ingredient: none

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  三羰基三(丙腈)钼(O) 在 9,9'-spirobifluorene 作用下， 以 not given 为溶剂， 生成 钼
  参考文献：
  名称：

  9,9'-螺二芴衍生的铁（II）和钌（II）茂金属配合物的合成与结构

  摘要：

  -9,9'-螺二芴和[CPM]之间的反应+（其中M = Fe和Ru）的等价物给出了配合物[CPRU（η 6 -SBF）] [PF 6 ]（1），[（CPRU）2（η 6，η 6 -SBF）] [PF 6 ] 2（2）和[（CpFe的量）2（η 6，η 6 -SBF）] [PF 6 ] 2（3分别地）。的单晶X射线结构1和3，该金属原子表现出扭曲η节目6-配位到SBF苯基部分主要是由于Cp和SBF之间的空间相互作用。3的结构包含每种可能的C 2对映体，而NMR光谱显示的信号与2和3的C 2和C 1立体异构体的1：1混合物一致。结合电化学数据，观察结果与SBF作为包含两个独立的联苯部分的分子的作用是一致的。

  DOI：

  10.1016/j.jorganchem.2005.10.004
• 作为试剂：
  描述：

  tert-butyl 4-acetylphenyl(3-perfluorooctylpropoxy)carbamate 在 甲醇 、 三羰基三(丙腈)钼(O) 作用下， 反应 0.25h， 以100%的产率得到4-乙酰基苯基氨基甲酸叔丁酯
  参考文献：
  名称：

  使用含氟标记的氨等效物对芳基碘进行胺化

  摘要：

  描述了用于芳基碘化物的 Cu 催化胺化的氟标记氨等价物，其中 N-Boc 保护的苯胺以高总产率和纯度生产。所有纯化步骤均使用氟固相萃取 (F-SPE) 进行，大大简化并加快了所需产物的分离。

  DOI：

  10.1002/ejoc.201000367

文献信息

• Reactions of (Me2C)(Me2Si)[(η5-C5H3)Mo(CO)3]2 with nitrile and subsequent cleavage of the CN bond by cooperation of molybdenum and ruthenium
  作者：Bin Li、Shansheng Xu、Haibin Song、Baiquan Wang

  DOI：10.1016/j.jorganchem.2007.10.026

  日期：2008.1

  from the reactions of (Me2C)(Me2Si)(C5H4)2 with (RCN)3Mo(CO)3 (R = Me, Et) in refluxing xylene. Reactions of 1 with isonitriles generated μ-η1-η2-CNR (R = tBu, Ph, C6H11) bridged complexes 6–8 in 53–63% yields. Subsequent reaction of 4 with Ru3(CO)12 yielded two CN bond cleavaged MoRu clusters (Me2C)(Me2Si)(η5-C5H3)2Mo2Ru3(CO)10(μ-CO)(μ3-CMe)(μ4-N) (9) (7%) and [(Me2C)(Me2Si)(η5-C5H3)2]2Mo4Ru6(CO)16(μ

  的双反应桥接双核钼络合物（ME 2 C）（ME 2 Si）的[（η 5 -C 5 H ^ 3）的Mo（CO）3 ] 2（1）在回流的二甲苯，得到络合物苄腈（ME 2 C） （ME 2 Si）的[（η 5 -C 5 H ^ 3）2沫2（CO）4（μ-η 2 -η 2（⊥）-NCPh）]（2）（50％）和（ME 2 C） （ME 2 Si）的[（η 5 -C 5 H ^3）2沫2（CO）4（μ-η 1 -η 2 -NCPh）]（3）（6％）与腈的不同的协调。对应的μ-η 2 -η 2乙腈和丙腈络合物4和5可以由（Me中反应获得2 C）（ME 2 Si）的（C 5 ħ 4）2与（RCN）3的Mo（CO）3（R ＝ Me，Et）在回流的二甲苯中。的反应1与异腈生成μ-η 1 -η 2-CNR（R = 吨卜中，Ph，C 6 H ^ 11）桥接的配合物6 - 8中53-63％的产率。的后续反应4用的Ru
• Allylnickel(II) and Allylpalladium(II) Derivatives of [(2-(Diphenylphosphino)ethyl)cyclopentadienyl]tricarbonylmetalates: Reactions with Free Radicals
  作者：Paul J. Fischer、Michelle C. Neary、Aaron P. Heerboth、Kevin P. Sullivan

  DOI：10.1021/om1006825

  日期：2010.10.25

  provide 4,4,4-triphenyl-1-butene as the sole allyl ligand coupling product from competitive reactions of phenyl and trityl radicals. However, while phenyl radical attack at the Pd(II) of Pd(η3-allyl)Cl(PPh3) is proposed as the first step in the trityl radical−allyl ligand coupling reaction, direct trityl radical attack at η3-allyl is strongly suggested in 1−3 and 10−12, respectively. A modest heterobimetallic

  四腿钢琴凳M'的合成进一步建立了桥接（2-（二苯基膦基）乙基）环戊二烯基（Cp PPh）配体以动力学稳定早期晚期金属-金属键以促进异双金属化合物中新反应的新作用。 M（η 3 -L）}（CO）3（μ-η 5：η 1 -Cp PPH）（M'=铬，钼，W; M =镍，钯; L =烯丙基，2-甲基烯丙基，环己烯基）。配合物1 - 3（M =镍，L =烯丙基）和4 - 6（M =镍，L = 2-甲基烯丙基）与过渡金属-镍（η第一结构表征heterobimetallics 3而烯丙基）单元，7 - 9（M =镍，L =环己烯基）是唯一的结构特征在于过渡金属-镍（η 3环己烯基）络合物。如Pd（η 3 -烯丙基）氯（PPH 3），1 - 3和10 - 12（M =钯，L =烯丙基）分别提供4,4,4-三苯基-1-丁烯作为唯一allyl配位体偶合产物来自苯基和三苯甲基自由基的竞争反应。然而，虽然在加入Pd（η的钯（II）苯基自由基攻击3
• Synthesis and properties of sterically congested cyclopentadienes and their transition metal complexes
  作者：T.Jeffrey Clark、Christopher M. Killian、Sanjay Luthra、Terence A. Nile

  DOI：10.1016/0022-328x(93)83365-3

  日期：1993.12

  The synthesis of 1,3-dialkyl substituted cyclopentadienes, C5H4RR′, Cp′H (Va–g) (where R and R′ are tert-butyl, iso-propyl, neo-pentyl, cyclohexyl, or 1-methylcyclohexyl) is reported. These are synthesized by the nucleophilic addition of methyl or hydride anions to the corresponding 2-alkyl-6,6-dialkylfulvenes (IIIa–f) followed by hydrolysis. These substituted 1,3-cyclopentadienes have been converted

  1,3-二烷基取代的环戊二烯，C 5 H 4 RR'，Cp'H（Va–g）（其中R和R'为叔丁基，异丙基，新戊基，环己基或1-甲基环己基）。这些是通过将甲基或氢化物阴离子亲核加成到相应的2-烷基-6,6-二烷基富勒烯（IIIa–f）中，然后水解而合成的。这些取代的1,3-环戊二烯已转化为有机金属衍生物例如[CP'Fe（CO）2 ] 2，[CP'M（CO）3本人]（MMo或W）和CP' 22Fe。为了研究取代的环戊二烯基配体的空间和电子性质，已经研究了所选配合物的光谱和电化学性质。
• Molybdenum and Tungsten Complexes of Sulfene (Thioformaldehyde <i>S</i>,<i>S</i>-Dioxide)¹
  作者：Wolfdieter A. Schenk、Katja Nielsen、Nicolai I. Burzlaff、Michael Hagel

  DOI：10.1021/ic010963e

  日期：2002.3.1

  complexes fac-[M(CO)(3)(P-P)(NCEt)] (M = Mo (3), W (4); P-P = Ph(2)PCH(2)PPh(2) (a), Ph(2)PC(2)H(4)PPh(2) (b), Ph(2)PC(3)H(6)PPh(2) (c), (S,S)-Ph(2)PCHMeCHMePPh(2) (d), Fe(C(5)H(4)PPh(2))(2) (e)) were synthesized from [M(CO)(3)(NCEt)(3)] and the corresponding diphosphine. Reactions of 3 and 4 with sulfur dioxide initially gave complexes fac-[M(CO)(3)(P-P)(eta(2)-SO(2))] (M = Mo (5), W (6)), which slowly

  丙腈配合物fac- [M（CO）（3）（PP）（NCEt）]（M = Mo（3），W（4）; PP = Ph（2）PCH（2）PPh（2）（a）， Ph（2）PC（2）H（4）PPh（2）（b），Ph（2）PC（3）H（6）PPh（2）（c），（S，S）-Ph（2）由[M（CO）（3）（NCEt）（3）]合成了PCHMeCHMePPh（2）（d），Fe（C（5）H（4）PPh（2））（2）（e））。相应的二膦。3和4与二氧化硫的反应最初产生了复合物fac- [M（CO）（3）（PP）（eta（2）-SO（2））]（M = Mo（5），W（6）），缓慢异构化为mer- [M（CO）（3）（PP）（eta（1）-SO（2））]（M = Mo（7），W（8））。通过X射线晶体学确定7b和8b的结构。两种化合物都是同构的（单斜晶系，空间群P2（1）/ n（第14号）），其晶胞尺寸几乎相同（7b，a
• Group VI Metal Carbonyl Complexes of Bis((diphenylphosphino)methyl)diphenylborate and an Assessment of Their Utility for Template Ligand Syntheses
  作者：Paul J. Fischer、Laura Avena、Trent D. Bohrmann、Michelle C. Neary、Grace K. Putka、Kevin P. Sullivan

  DOI：10.1021/om5001056

  日期：2014.3.10

  Zerovalent group VI metal chemistry of anionic bis((diphenylphosphino)methyl)diphenylborate (Ph2BP2) offers some surprises in comparison to the chemistry of analogous complexes of neutral bidentate phosphines. The enhanced donor ability of Ph2BP2 relative to related bis-PPh2 ligands is confirmed by IR spectral analysis of [ASN][M(CO)4(Ph2BP2)] (ASN = 5-azoniaspiro[4.4]nonane; M = Cr, Mo, W). The mononitriles

  阴离子双（（二苯基膦基）甲基）的零价VI族金属化学diphenylborate（PH 2 BP 2）相比，中性二齿膦的类似配合物的化学性质提供了一些惊喜。pH值的增强的供体的能力2 BP 2相对于相关的双- PPH 2个配体是由[ASN] [M（CO）的IR谱分析证实4（PH 2 BP 2）]（ASN = 5氮鎓螺[4.4]壬烷； M ＝ Cr，Mo，W）。所述单腈[ASN] [ FAC -M（CO）3（RCN）（​​PH 2 BP 2）]（M =铬，R =甲基; M =钼，R =的Et; M = W，R = ET）是用于引入二氧化硫和异氰化物到π-基本M（CO）的有用试剂3（PH 2 BP 2）片段。虽然这种阴离子片段的基本配位化学大多镜子，其现有的中立表兄弟，博士的电子冲击2 BP 2根引线在某些情况下，以不同的反应。例如，二氧化硫配合物[ASN] [聚体-M（CO）3（SO 2）（PH