tantalum(V) n-butoxide | 51094-78-1

• 物质功能分类: 有机原料 - 有机金属类化合物 - 有机钪、钽、铊、钨、锑、镧、铅、钒、钼、铬、镱等
• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: tantalum(V) n-butoxide
• 英文别名: tantalum pentabutoxide；Pentakis-butyloxy-tantal；Penta-n-butoxy-tantal；tantalum butoxide；tantalum(V) butoxide；butan-1-olate;tantalum(5+)
• CAS: 51094-78-1
• 化学式: C₂₀H₄₅O₅Ta
• 分子量: 546.522
• InChiKey: QORWLRPWMJEJKP-UHFFFAOYSA-N

物化性质

• 沸点：
  217°C 0,15mm
• 密度：
  1.31 g/mL at 25 °C(lit.)
• 闪点：
  105 °F
• 稳定性/保质期：
  遵照规定使用和储存，则不会发生分解。

计算性质

• 辛醇/水分配系数(LogP)：
  0.73
• 重原子数：
  26
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  115
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• TSCA：
  Yes
• 危险品标志：
  Xi
• 安全说明：
  S16,S26,S36
• 危险类别码：
  R10
• WGK Germany：
  3
• 危险标志：
  GHS02,GHS07
• 危险品运输编号：
  UN 1993 3
• 危险性描述：
  H226,H315,H319,H335
• 危险性防范说明：
  P261,P305 + P351 + P338
• 储存条件：
  存放于阴凉干燥处。

SDS

Name:	Tantalum(V) Butoxide Material Safety Data Sheet
Synonym:	None Known
CAS:	51094-78-1

Section 1 - Chemical Product MSDS Name:Tantalum(V) Butoxide Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
51094-78-1	Tantalum(V) Butoxide	ca. 100	256-962-9

Hazard Symbols: XI
Risk Phrases: 10 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Flammable. Irritating to eyes, respiratory system and skin.Moisture sensitive.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis and corneal damage.
Skin:
Causes skin irritation. May cause cyanosis of the extremities.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. Ingestion of large amounts may cause CNS depression.
Inhalation:
Causes respiratory tract irritation. Aspiration may lead to pulmonary edema. Vapors may cause dizziness or suffocation. May cause burning sensation in the chest.
Chronic:
Effects may be delayed.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Vapors may form an explosive mixture with air.
Vapors can travel to a source of ignition and flash back. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Will burn if involved in a fire. Use water spray to keep fire-exposed containers cool. Containers may explode in the heat of a fire. Flammable liquid and vapor. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use water spray to cool fire-exposed containers. Water may be ineffective. Use water spray, dry chemical, carbon dioxide, or chemical foam. Do NOT get water inside containers. Do NOT use straight streams of water.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Use a spark-proof tool. Provide ventilation. Do not get water inside containers. A vapor suppressing foam may be used to reduce vapors.

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Section 7 - HANDLING and STORAGE
Handling:
Ground and bond containers when transferring material. Use spark-proof tools and explosion proof equipment. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation.
Use with adequate ventilation. Do not allow contact with water. Wash clothing before reuse. Do not pressurize, cut, weld, braze, solder, drill, grind, or expose empty containers to heat, sparks or open flames. Keep from contact with moist air and steam.
Storage:
Keep away from sources of ignition. Store in a cool, dry place.
Store in a tightly closed container. Flammables-area. Store protected from moisture.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 51094-78-1: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Liquid
Color: pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 40 deg C ( 104.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.310
Molecular Formula: C20H45O5Ta
Molecular Weight: 546.53

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, ignition sources, excess heat, exposure to moist air or water.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 51094-78-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Tantalum(V) Butoxide - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3
UN Number: 1993
Packing Group: III
IMO
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3.3
UN Number: 1993
Packing Group: III
RID/ADR
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3
UN Number: 1993
Packing group:

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 10 Flammable.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 9 Keep container in a well-ventilated place.
S 16 Keep away from sources of ignition - No
smoking.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 33 Take precautionary measures against static
discharges.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 51094-78-1: No information available.
Canada
CAS# 51094-78-1 is listed on Canada's NDSL List.
CAS# 51094-78-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 51094-78-1 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  tantalum(V) n-butoxide 在 水 作用下， 以 乙醇 为溶剂， 反应 197.0h， 生成 tantalum pentoxide
  参考文献：
  名称：

  Synthesis of hollow spherical tantalum oxide nanoparticles and their photocatalytic activity for hydrogen production

  摘要：

  Nano-particles consisting of hollow spherical tantalum oxide (referred to as HSTaO in this work) were synthesized by using the nonionic triblock copolymer F127 as the structure-directing agent in an ethanol aqueous medium. The HSTaO had a large surface area (higher than 100 m(2)/g), and relatively uniform particle size, in the range of 50-200 nm. The wall thickness of the hollow spherical particles was measured to be about 15-17 nm and contained ultrafine Ta2O5 crystallites. The band gap of HSTaO (4.3 eV) is clearly wider than that of bulk Ta2O5 (3.9 eV), which can be attributed to the quantum size of the ultrafine Ta2O5 crystallites. In addition, HSTaO with core-shell Ni/NiO particles (co-catalyst) exhibited similar photocatalytic activity as bulk Ta2O5 with co-catalyst in hydrogen generation from methanol aqueous solution under photoirradiation, with the HSTaO photocatalyst showing higher stability than the bulk. (C) 2012 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jssc.2012.11.016
• 作为产物：
  描述：

  五氯化钽 、 正丁醇 在 氨 作用下， 反应 0.5h， 生成 tantalum(V) n-butoxide
  参考文献：
  名称：

  细碎体系Ta 2 O 5 -HfO 2 -C的反应活性与干凝胶碳化温度的关系

  摘要：

  摘要 研究了干凝胶碳化温度对Ta 2 O 5 -HfO 2 -C系统中所得材料化学活性的影响，从而建立了一种基于TaC–HfC系统的节能陶瓷生产方法。反应性热压或火花等离子烧结。通过创建相互渗透的有机-无机网络，同时引发含金属的前体水解和糠醇聚合（甲酸催化酸），开发了一种新的方法来形成含钽-f聚合物。Ta 2 O 5 –HfO 2的样品根据在不同温度（400、700和1000°C）下在动态真空条件下使用碳化干燥后产生的干凝胶，获得了在复杂的碳热合成中具有不同反应性的–C系统。研究了它们在气流中的元素和相组成，微观结构和热行为。最低温度为400°C时合成的粉末具有最大的反应性，但还包含相当多（3-4 wt％）的未热解有机碎片，在规划碳化陶瓷的高温固结时应考虑到这一点。

  DOI：

  10.1134/s003602362105020x

文献信息

• Tantalum(V) alkoxides : Electrochemical synthesis, mass-spectral investigation and oxoalkoxocomplexes
  作者：N.Ya. Turova、A.V. Korolev、D.E. Tchebukov、A.I. Belokon、A.I. Yanovsky、Yu.T. Struchkov

  DOI：10.1016/0277-5387(96)00092-7

  日期：1996.8

  Ta(OR)5 (R = Me(1), Et(2), Bun(3)) and Ta2O(OPri)8·PriOH (4) were obtained by the anodic oxidation of metallic tantalum in absolute alcohols in the presence of LiCl (electroconductive additive). Ta(OPri)5 (5) was isolated by distillation in the course of thermolysis of 4 under reduced pressure. Ta(OC2H4OMe)5 (6) was obtained by reaction of 5 with 2-methoxyethanol. Compounds 1 and 5 are isostructural

  Ta（OR）5（R = Me（1），Et（2），Bu n（3））和Ta 2 O（OPr i）8 ·Pr i OH（4）是通过在金属钽中进行阳极氧化而获得的。 LiCl（导电添加剂）存在下的无水醇。通过在减压下热分解4的过程中蒸馏来分离Ta（OPr i）5（5）。通过5的反应获得Ta（OC 2 H 4 OMe）5（6）用2-甲氧基乙醇。化合物1和5与相应的[Nb（OR）5 ] 2（R = Me，Pr'）同构。它们的分子包含两个[M0 6 1八面体，共有一个共同的边缘。在<20°C下从McOH中重结晶1，得到单溶剂化物Ta（OMe）5 ·MeOH。Ta（OMe）5在水中的溶解度。在-80°C至50°C的温度范围内进行了研究。双核分子4具有一个μ-O（氧代）和一个μ-OR基团，ROH处于轴向位置。化合物4是稳定的氧代烷氧化物（在溶液和气相中）的第一个例子，与大多数M x相比，它的金属核少至两个O
• Synthesis and electrochemical characterisation of new tantalum (V) alkythio phthalocyanines
  作者：Vongani Chauke、Tebello Nyokong

  DOI：10.1016/j.ica.2010.05.003

  日期：2010.11

  The synthesis and electrochemical characterisation of octa-pentylthio (4a) and octa-octylthio (4b) – phthalocyaninato tantalum (III) hydroxide are hereby reported. These TaPc complexes absorb in the near infrared region (∼800 nm in dichloromethane). They show good solubility in most common solvents especially non-viscous solvents such as dichloromethane and chloroform. NMR, mass and infrared spectroscopy

  特此报道辛基戊硫基（4a）和辛基辛硫基（4b）–酞菁氰化钽（III）的合成和电化学表征。这些TaPc复合物在近红外区域（在二氯甲烷中约为800 nm）吸收。它们在大多数普通溶剂（特别是非粘性溶剂，例如二氯甲烷和氯仿）中显示良好的溶解性。NMR，质谱和红外光谱以及元素分析证实了合成配合物的结构和纯度。循环伏安图（CV）显示出可逆的还原对和不可逆的氧化峰。后者表现出吸附行为。在-0.74和-1.13 V（相对于Ag | AgCl电极）观察到的还原方法为图4a，对于4b，为-0.67，-1.02和-1.48 V（相对于Ag | AgCl）。光谱电化学证实一种金属还原，其余的氧化还原过程集中在酞菁环上。
• Characterization of BaMg1/3(Ta1−xNbx)2/3O3 ceramics obtained by a modified Pechini method
  作者：Cristina Jinga、Daniela Berger、Cristian Matei、Sorin Jinga、Ecaterina Andronescu

  DOI：10.1016/j.jallcom.2010.03.019

  日期：2010.5

  Abstract Synthesis of oxide powders by soft chemistry methods has certain advantages over the solid-state reaction route in terms of homogeneity and morphology, leading to a better sinterability of the ceramics. BaMg 1/3 Ta 2/3 O 3 powders were synthesized by various wet-chemical methods in order to improve the dielectric properties. Our paper reports, for the first time, the synthesis of BaMg 1/3

  摘要 软化学法合成氧化物粉体在均匀性和形貌方面比固相反应路线具有一定的优势，使陶瓷具有更好的烧结性。BaMg 1/3 Ta 2/3 O 3 粉末通过各种湿化学方法合成以提高介电性能。我们的论文首次报道了通过改进的 Pechini 方法合成 BaMg 1/3 (Ta 1− x Nb x ) 2/3 O 3 ( x = 0, 0.1, 0.2) 陶瓷及其介电性能。通过TG-DTA、FTIR、XRD、SEM和TEM对粉末进行成分、结构和形态表征。BaMg 1/3 Ta 2/3 O 3 粉末显示出13nm的颗粒平均尺寸和立方结构。
• Kudo, Ryoichi; Matsui, Hideo; Yoshihara, Masakuni, Nippon Kagaku Kaishi/Journal of the Chemical Society of Japan
  作者：Kudo, Ryoichi、Matsui, Hideo、Yoshihara, Masakuni

  DOI：——

  日期：——
• Chauke, Vongani P.; Arslanoglu, Yasin; Nyokong, Tebello, Polyhedron, 2011, vol. 30, p. 2132 - 2139
  作者：Chauke, Vongani P.、Arslanoglu, Yasin、Nyokong, Tebello

  DOI：——

  日期：——