三正丙基磷化氢氧化物 | 1496-94-2

• 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 - 有机磷化合物 - 有机膦及其衍生物
• 中文名称: 三正丙基磷化氢氧化物
• 中文别名: 三-N-丙基磷化氢氧化物
• 英文名称: tri-n-propylphosphine oxide
• 英文别名: Tripropyl-phosphinoxid；tripropylphosphine oxide；Tri-n-propylphosphinoxid；Phosphine oxide, tripropyl-；1-dipropylphosphorylpropane
• CAS: 1496-94-2
• 化学式: C₉H₂₁OP
• mdl: MFCD00013915
• 分子量: 176.239
• InChiKey: SNZSAFILJOCMFM-UHFFFAOYSA-N

物化性质

• 熔点：
  39°C
• 沸点：
  280-82°C
• 密度：
  0.8473 g/cm3
• 稳定性/保质期：
  如果按照规格使用和储存，则不会分解，也未有已知危险反应。请避免接触氧化物。

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险类别码：
  R20/21/22,R36/37/38
• 海关编码：
  2931900090
• 储存条件：
  请将贮藏器保持密封状态，并存放在阴凉、干燥的地方。同时，确保工作环境具有良好的通风或排气设施。

SDS

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Section 1: Product Identification
Chemical Name: Tri-n-propylphosphine oxide, min. 98%
CAS Registry Number: 1496-94-2
Formula: (n-C3H7)3PO
EINECS Number: none
Chemical Family: organophosphorus compound
Synonym: Tri-n-propylphosphine oxide

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Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title Compound 1496-94-2 100% no data no data

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Section 3: Hazards Identification
Harmful in contact with skin and if swallowed. The material is irritating to skin, eyes, and mucous membranes.
Emergency Overview:
Primary Routes of Exposure: Ingestion, eyes, inhalation
Eye Contact: Causes moderate irritation of the eyes
Skin Contact: Causes moderate irritation of the skin. Harmful in contact with skin.
Inhalation: The dust is irritating to the nose, mucous membranes and respiratory tract.
Ingestion: Harmful if swallowed. May cause vomiting and diarrhea.
Acute Health Affects: Harmful in contact with skin and if swallowed. Irritating to skin, eyes and respiratory tract.
Chronic Health Affects: No information available 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: not applicable
Autoignition Temperature: no data
Explosion Limits: no data
Extinguishing Medium: carbon dioxide, dry powder or foam
If involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure self-contained
Special Fire Fighting Procedures:
breathing apparatus and full protective clothing.
Hazardous Combustion and In a fire may emit toxic organic fumes, carbon monoxide, carbon dioxide, and phosphorous pentoxide.
Decomposion Products:
Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

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SECTION 6: Accidental Release Measures
Spill and Leak Procedures: Small spills can be mixed with vermiculite or sodium carbonate and swept up.

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SECTION 7: Handling and Storage
Handling and Storage: Store in a tightly sealed container. Keep away from heat and direct sunlight.

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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. Consult with glove manufacturer to determine the proper type of glove.
Ventilation: Material may form a fine dust. If possible, 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: Material may form a fine dust. If possible, 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: white xtl.
Molecular Weight: 176.24
Melting Point: 39°
Boiling Point: 280-282°C
Vapor Pressure: no data
Specific Gravity: no data
Odor: sweetish odor
Solubility in Water: slightly soluble

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SECTION 10: Stability and Reactivity
Stability: moisture sensitive
Hazardous Polymerization: no hazardous polymerization
Conditions to Avoid: contact with strong oxidizing agents
Incompatibility: oxidizing agents and halogens
Decomposition Products: carbon dioxide, carbon monoxide, organic fumes, and phosphorus oxides.

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SECTION 11: Toxicological Information
Administration onto the skin (rabbit); Standard Draize test: 10 uL/24H. Adminstration into the eye (rabbit);
RTECS Data: Standard Draize test: 5 uL. Oral (rat); LD50: 1410 mg/kg. Oral (mouse) LD50: 1360 mg/kg. Administration onto
the skin (rabbit); LD50: 1130 mg/kg. Oral (rat); TDLo: 9300 mg/kg/30D-I.
Carcinogenic Effects: No data available
Mutagenic Effects: No data available
Tetratogenic Effects: No data available

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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: 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：

  三正丙基磷化氢氧化物 在 calcium iodide 作用下， 以 四氢呋喃 为溶剂， 以68%的产率得到calcium;1-dipropylphosphorylpropane;diiodide
  参考文献：
  名称：

  重度碱土碘化物络合物中金属配位环境的选择性修饰†

  摘要：

  一系列重碱土的（AE）碘化的配位化合物被报道，含有各种中性供体配体，其中包括三苯基膦氧化物（OPPh 3），三- ñ -propylphosphine氧化物（OPPR 3），四乙基脲（TEU），二甲基亚丙基脲（ DMPU）和亚硝基苯二聚体（[ONPh] 2）。氧化膦可以取代配位化合物中的钙或钡中的碘化物，有时表现出协同键合和/或生成通式为[AeI m（OPR 3）6-（m + p）（THF）p ] （2- m）+。特别地，尽管试剂的化学计量比为非化学计量比，但是2当量。尽管使用了4当量，但OPPh 3的一部分与CaI 2在THF中反应以生成CaI 2（OPPh 3）3（THF）（1）。将产生预期的CaI 2（OPPh 3）4（2）。与CaI 2和5当量。通过三（正丙基）氧化膦，形成阳离子物种[CaI（OPPr 3）5 ] I（3）。拥有4个当量 THF中的OPPh 3和BaI 2的阳离子[BaI（OPPh

  DOI：

  10.1039/c6nj01713d
• 作为产物：
  描述：

  1-氯丙烷 在 磷化氢 、 alkali hydroxide (superbasic system) 作用下， 以 二甲基亚砜 为溶剂， 生成 三正丙基磷化氢氧化物
  参考文献：
  名称：

  Trofimov, B. A.; Gusarova, N. K.; Malysheva, S. F., Phosphorus, Sulfur and Silicon and the Related Elements, 1990, vol. 51/52, p. 713

  摘要：

  DOI：

文献信息

• Phosphine oxide complexes of thorium(IV), uranium(IV), neptunium(IV), and dioxouranium(VI) nitrates
  作者：Kenneth W. Bagnall、Malcolm W. Wakerley

  DOI：10.1039/dt9740000889

  日期：——

  Complexes of the actinoid tetranitrates with phosphine oxides, M(NO3)4,xR3PO (R = Me(tmpo), M = Th, U, X = 4 and M = Th, Np, x= 3; R = Prn(tprpo), M = Th, U, Np, x= 2·67; R = Bun(tbpo) M = Th, x= 4; R = Me2N(hmpa), M = Th, U, Np, x= 2; R = Ph(tppo), M = Np, x= 2) and with the bidentate phosphine oxides, octamethylpyrophosphoramide(ompa), Th(NO3)4,2·5ompa and M(NO3)4,1·5ompa (M = Th, U, Np), bis(diphenylphosphinyl)

  nit系四硝酸盐与氧化膦的复合物M（NO 3）4，x R 3 PO（R = Me（tmpo），M = Th，U，X = 4和M = Th，Np，x = 3; R = Pr n（tprpo），M = Th，U，Np，x = 2·67； R = Bu n（tbpo）M = Th，x = 4； R = Me 2 N（hmpa），M = Th，U， Np，x = 2； R = Ph（tppo），M = Np，x = 2）且带有二齿膦氧化物，八甲基吡咯磷酰胺（ompa），Th（NO 3）4，2 ·5ompa和M（NO 3）4制备了1,5ompa（M = Th，U，Np），双（二苯基膦基）甲烷（ppm），Th（NO 3）4 1·5ppm和双（二苯基膦基）乙烷，Th（NO 3）4 2ppe ，以及铀（VI）类似物UO 2（NO 3）2，x L（L = tprpo，x = 2； L = ppm，x = 1
• Effect of electrolysis conditions on the process of anodic oxidation of tertiary phosphines in the presence of camphene
  作者：V. A. Zagumennov、N. A. Sizova

  DOI：10.1134/s1070363212080075

  日期：2012.8

  phosphiniminoterpenylphosphonium salts which are obtained due to the rearrangement of terpenyl skeleton. Conditions of electrosynthesis are found where the summary yield of terpenylphosphonium products increases. The effect of length and degree of branching of alkyl substituents in trialkylphosphines on the rate of the reaction of phosphine radical cations with camphene and starting phosphine is found

  叔膦（Et 3 P，Pr 3 P，Bu 3 P，i -Bu 3 P和Am 3的阳极氧化P）研究了在高氯酸钠的乙腈溶液中铂阳极上存在camp烯和异质碱（磷酸三钠）的情况。已经确定三烷基膦自由基阳离子与camp烯反应以产生两种类型的产物：通过消除质子形成的Camphenylphosph盐，和由于萜烯基骨架的重排而获得的膦基氨基萜烯基salts盐。发现电合成的条件，其中萜烯基phosph产物的总产率增加。发现三烷基膦中烷基取代基的长度和支化程度对膦自由基阳离子与with烯和起始膦的反应速率的影响。
• Mechanisms of Hydrogen-, Oxygen-, and Electron-Transfer Reactions of Cumylperoxyl Radical
  作者：Shunichi Fukuzumi、Kanji Shimoosako、Tomoyoshi Suenobu、Yoshihito Watanabe

  DOI：10.1021/ja035156o

  日期：2003.7.1

  oxygen-transfer reactions proceed via 1:1 charge-transfer (CT) complexes formed between the substrates and cumylperoxyl radical. The primary kinetic isotope effects are determined by comparing the rates of N,N-dimethylanilines and the corresponding N,N-bis(trideuteriomethyl)anilines. The isotope effect profiles are quite different from those reported for the P-450 model oxidation of the same series of substrates

  在丙腈 (EtCN) 和戊烷中，低温下从一系列对位取代的 N,N-二甲基苯胺到枯基过氧自由基的氢转移反应和从枯基过氧自由基到一系列硫化物和膦的氧转移反应的速率已确定使用 ESR。观察到的速率常数与 N,N-二甲基苯胺的浓度呈一阶和二阶相关性。这表明氢和氧转移反应是通过底物和枯基过氧自由基之间形成的 1:1 电荷转移 (CT) 复合物进行的。主要动力学同位素效应是通过比较 N,N-二甲基苯胺和相应的 N,N-双（三甲基）苯胺的速率来确定的。同位素效应分布与同一系列底物的 P-450 模型氧化所报道的分布完全不同。从二茂铁衍生物到枯基过氧自由基的电子转移反应速率也已通过使用 ESR 确定。Sc(OTf)(3) (OTf = 三氟甲磺酸盐) 对电子转移反应的催化作用与 Sc(OTf)(3) 对氢和氧转移反应的催化作用进行了比较。这种比较提供了强有力的证据，表明枯基过氧自由基的氢和氧转移反应是通过
• Organophosphoryl adducts of tris(pentafluorophenyl)borane; crystal and molecular structure of B(C6F5)3·Ph3PO
  作者：Michael A. Beckett、David S. Brassington、Mark E. Light、Michael B. Hursthouse

  DOI：10.1039/b100981h

  日期：——

  B(C6F5)3·Ph3PO was further characterised in the solid state by a single-crystal X-ray diffraction study. 31P NMR chemical shifts and ν(PO) IR stretching frequencies are discussed in relation to substituent at phosphorus.

  B（C 6 F 5）3与有机磷酰基的一系列1：1加合物配体Et 3 PO，Ph 3 PO，Pr n 3 PO，Oct n 3 PO，（MeO）3 PO，（EtO）3 PO，（PhO）3 PO，（EtO）2（H）PO，（Bu n O）合成并表征了2（H）PO，（PhO）2（H）PO，（MeO）2 MePO，（EtO）2 MePO，（EtO）2 PhPO和（EtO）Me 2 PO元素分析，mp和光谱（1 H，13 C，11 B，19 F，31 P NMR 和 红外） 方法。通过单晶X射线衍射研究进一步表征了B（C 6 F 5）3 ·Ph 3 PO的固态。31 P NMR化学位移和ν（PO）红外 关于磷的取代基，讨论了拉伸频率。
• Preparation of organohalosilanes
  申请人：——

  公开号：US20030199705A1

  公开（公告）日：2003-10-23

  In an industrial process for preparing organohalosilanes by reacting metallic silicon particles with an organohalide in the presence of a copper catalyst, a contact mass composed of the metallic silicon and the catalyst further contains an effective amount of a phosphine chalcogenide compound. The invention drastically increases the silane formation rate and the utilization of silicon without lowering the selectivity of useful silane.

  在一种工业过程中，通过在铜催化剂存在下，将金属硅粒子与有机卤化物反应制备有机卤代硅烷，接触质量由金属硅和催化剂组成，进一步含有有效量的膦硫化合物。该发明显著提高了硅烷形成速率和硅的利用率，而不降低有用硅烷的选择性。

表征谱图