碘化钽(V) | 14693-81-3

• 物质功能分类: 无机化工 - 无机盐 - 金属卤化物及卤酸盐
• 分子结构分类: 无机化合物 - 混合金属/非金属化合物 - 过渡金属盐
• 中文名称: 碘化钽(V)
• 中文别名: 碘化钽；碘化钽(V), 96+%
• 英文名称: tantalum pentaiodide
• 英文别名: Pentaiodotantalum
• CAS: 14693-81-3
• 化学式: I₅Ta
• 分子量: 815.47
• InChiKey: MISXNQITXACHNJ-UHFFFAOYSA-I

物化性质

• 熔点：
  496 °C(lit.)
• 沸点：
  543 °C(lit.)
• 密度：
  5.8 g/mL at 25 °C(lit.)
• 溶解度：
  与H2O反应
• 稳定性/保质期：
  常温常压下稳定，避免与水分、潮湿和碱性物质接触。

计算性质

• 辛醇/水分配系数(LogP)：
  -14.98
• 重原子数：
  6
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  5

ADMET

毒理性

• 副作用

Dermatotoxin - 皮肤烧伤。

Dermatotoxin - Skin burns.

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

安全信息

• 危险等级：
  8
• 危险品标志：
  T
• 安全说明：
  S26,S36/37/39,S45
• 危险类别码：
  R34,R23
• WGK Germany：
  3
• 危险品运输编号：
  UN 3260 8/PG 2
• 包装等级：
  III
• 危险类别：
  8
• 储存条件：
  常温下应密闭避光保存，并放置于通风干燥处。

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : Tantalum(V) iodide
CAS-No. : 14693-81-3
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 [EU-GHS/CLP]
Acute toxicity, Inhalation (Category 3)
Skin corrosion (Category 1B)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Toxic by inhalation. Causes burns.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Danger
Hazard statement(s)
H314 Causes severe skin burns and eye damage.
H331 Toxic if inhaled.
Precautionary statement(s)
P261 Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P280 Wear protective gloves/ protective clothing/ eye protection/ face
protection.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
P310 Immediately call a POISON CENTER or doctor/ physician.
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R23 Toxic by inhalation.
R34 Causes burns.
S-phrase(s)
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S36/37/39 Wear suitable protective clothing, gloves and eye/face protection.
S45 In case of accident or if you feel unwell, seek medical advice immediately
(show the label where possible).
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : TaI5
Molecular Weight : 815,47 g/mol
Component Concentration
Tantalum(V) iodide
CAS-No. 14693-81-3 -
EC-No. 238-742-4

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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
Take off contaminated clothing and shoes immediately. Wash off with soap and plenty of water. Take
victim immediately to hospital. 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
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
Prolonged exposure to iodides may produce iodism in sensitive individuals. Symptoms of exposure
include: skin rash, running nose, headache and irritation of the mucous membrane. For severe cases the
skin may show pimples, boils, hives, blisters and black and blue spots. Iodides are readily diffused across
the placenta. Neonatal deaths from respiratory distress secondary to goiter have been reported. Iodides
have been known to cause drug-induced fevers, which are usually of short duration., Benign
pneumoconiosis.
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
Hydrogen iodide, Tantalum 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
Wear respiratory protection. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate
ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
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
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.Normal measures for preventive fire
protection.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Moisture sensitive. Heat sensitive.
Specific end uses
no data available

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Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling
the product.
Personal protective equipment
Eye/face protection
Face shield and safety glasses 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
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).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: solid
Colour: black
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing Melting point/range: 496 °C
point
f) Initial boiling point and 543 °C at 1.013 hPa
boiling range
g) Flash point no data available
h) Evaporation 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 5,800 g/cm3
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

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Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents, acids
Hazardous decomposition products
Other decomposition products - no data available

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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 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
Toxic if inhaled. Material is extremely destructive to the tissue of the
mucous membranes and upper respiratory tract.
Ingestion May be harmful if swallowed. Causes burns.
Skin May be harmful if absorbed through skin. Causes skin burns.
Eyes
Causes eye burns.
Signs and Symptoms of Exposure
Prolonged exposure to iodides may produce iodism in sensitive individuals. Symptoms of exposure
include: skin rash, running nose, headache and irritation of the mucous membrane. For severe cases the
skin may show pimples, boils, hives, blisters and black and blue spots. Iodides are readily diffused across
the placenta. Neonatal deaths from respiratory distress secondary to goiter have been reported. Iodides
have been known to cause drug-induced fevers, which are usually of short duration., Benign
pneumoconiosis.
Additional Information
RTECS: Not available

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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
no data available
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. Contact a licensed
professional waste disposal service to dispose of this material. 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: 3260 IMDG: 3260 IATA: 3260
UN proper shipping name
ADR/RID: CORROSIVE SOLID, ACIDIC, INORGANIC, N.O.S. (Tantalum(V) iodide)
IMDG: CORROSIVE SOLID, ACIDIC, INORGANIC, N.O.S. (Tantalum(V) iodide)
IATA: Corrosive solid, acidic, inorganic, n.o.s. (Tantalum(V) iodide)
Transport hazard class(es)
ADR/RID: 8 IMDG: 8 IATA: 8
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

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SECTION 15 - REGULATORY INFORMATION
N/A

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

用途

碘化钽又叫五碘化钽，是一种无机化合物，以黑色粉末的形式存在，具有斜方晶系结构，晶格常数为a=0.665nm。它是稳定性较差的钽化合物之一，在空气中易吸潮水解成五氧化二钽，并在高温下容易分解为金属钽和元素碘。利用其易升华、易分解的特性，可以制取高纯度的钽。

应用

CN201410611060.7专利公开了一种硬质合金冲压件，由以下按重量份计的物料组成：氢氧化铜30-40份、三氧化二锰25-35份、二氧化硅22-26份、氧化钛12-16份、三氧化铬12-16份、氢氧化镍10-15份、二氧化锡10-15份、四氧化三铁10-14份、氧化钴8-12份、三氧化钼8-10份、氢化锂5-9份、氧化铍6-8份以及五碘化钽6-8份和五氧化铌4-6份。该发明的有益效果在于，通过调整冲压件的组成配比，能够有效降低压铸件中的皱纹率和扭曲率，相比于现有技术，质量可提高3-4倍。

反应信息

• 作为反应物：
  描述：

  碘化钽(V) 在 Al 作用下， 生成 tantalum tetraiodide
  参考文献：
  名称：

  The Equilibrium Phase Diagrams for the Tantalum-Tantalum Bromide and Tantalum-Tantalum Iodide Systems

  摘要：

  DOI：

  10.1021/ic50032a029
• 作为产物：
  描述：

  氢碘酸 、 五氯化钽 以 further solvent(s) 为溶剂， 以83%的产率得到碘化钽(V)
  参考文献：
  名称：

  较早的过渡元素通过卤化物交换反应得到较重的卤化物。[Ph 3 C] 2 [Hf 2 Cl 10 ]的晶体和分子结构

  摘要：

  锆（的decahalogenodimetalates IV）和铪（IV）作为它们的三苯甲基衍生物[PH 3 C] 2 [M 2氯10 ]已经由M（BH反应得到4）4与适宜的pH 3 CX或通过加入Ph 3 CX转换为MX 4的过程。[ X 3 C] 2 [Hf 2 Cl 10 ]的晶体和分子结构已通过X射线衍射方法研究：三斜晶系，空间群P，a = 15.965（3），b= 12.907（3），c = 10.526（3）Å，α= 99.75（2），β= 84.84（2），γ= 102.64（2）°，Z =2。该结构由[Ph 3 C]组成+阳离子和[Hf 2 Cl 10 ] 2-阴离子，后者具有晶体对称性。氯化物桥接的二聚体具有扭曲的八面体配位，而[Ph 3 C] +阳离子在中心碳周围具有三角平面的几何形状。铌（V）和钽（V）的卤化物较重，是通过与Pr i Br进行交换反应从氯化物制备的（对于NbBr

  DOI：

  10.1039/dt9900002743

文献信息

• Reactivity of Niobium and Tantalum Pentahalides with Cyclic Ethers and the Isolation and Characterization of Intermediates in the Polymerization of Tetrahydrofuran
  作者：Fabio Marchetti、Guido Pampaloni、Stefano Zacchini

  DOI：10.1021/ic7012254

  日期：2008.1.1

  3f) result from reactions of MX5 with 0.5 and 1.5 equiv of THF, respectively. Compounds 3 contain the unprecedented 4-(tetrahydrofuran-1-ium)-butan-1-oxo ligand and are likely to play a role in the course of THF polymerization catalyzed by MX5. The addition of L (L = 2,5-dimethyltetrahydrofuran, tetrahydropyran, 1,4-dioxane) to MX5 results in the formation of the hexacoordinated complexes MX5(L). The

  配合物MX5（THF）（M = Nb，X = Cl，2a; M = Ta，X = F，2c，X = Cl，2d）和[MX4（THF）O（CH2）4O（CH2）3CH2） }] [MX6]（M = Nb，X = Cl，3a； M = Ta，X = Cl，3d，X = Br，3e，X = I，3f）是MX5与0.5和1.5当量的THF反应生成的， 分别。化合物3包含空前的4-（四氢呋喃-1-基）-丁-1-氧化配体，并可能在MX5催化的THF聚合过程中发挥作用。向MX5中添加L（L ＝ 2，5-二甲基四氢呋喃，四氢吡喃，1，4-二恶烷）导致六配位配合物MX5（L）的形成。X射线衍射研究确定了2d，3d和NbCl5（二恶烷）6a的分子结构。
• Improved access through ball milling: Octahedral Ta ₆ cluster alkoxides with weakly coordinating cations and a rare example of an electron‐poor Ta ₆ cluster
  作者：Florian Schröder、Martin Köckerling

  DOI：10.1002/zaac.202100177

  日期：2021.8.26

  obtained. Either methanolato or iodido ligands are further attached to the exo sites of the Ta6 octahedra. The [Ta6(OCH3)i12(OCH3)a6]2− and [Ta6(OCH3)i12Ia6]2−/1− units were crystallized with large cations. Single crystal X-ray diffraction studies have revealed the structures of four of these compounds. They show that the Ta−Ta atom distances are shorter than those found in comparable Ta6 halides, because

  从活化的(球磨的)[Ta 6 I 14 ]与Mg-甲醇化物或乙醇化物的反应获得具有六核Ta 6单元的化合物的第一个实例，其八面体边缘由醇配体桥接。甲醇或碘配体进一步连接到 Ta 6八面体的外位点。[Ta 6 (OCH 3 ) i 12 (OCH 3 ) a 6 ] 2-和[Ta 6 (OCH 3 ) i 12 I a 6 ] 2-/1-单元用大阳离子结晶。单晶 X 射线衍射研究揭示了其中四种化合物的结构。他们表明，Ta-Ta 原子距离比在可比较的 Ta 6卤化物中发现的要短，因为与 i 相比，较小的 O 原子的基质效应要小得多。e. 氯。(PPN)[Ta 6 (OC 2 H 5 ) i 12 I a 6 中的簇单元] 包括一个罕见的例子，它是具有 13 个基于簇的电子（位于能量最高的金属轨道）的贫电子系综。具有 13 个 CBE 和 14 个 CBE 的簇之间的键长差异与已发表的键合情况理论描述一致。
• Preparation and properties of the single crystalline AB2-type selenides and tellurides of niobium, tantalum, molybdenum and tungsten
  作者：L.H. Brixner

  DOI：10.1016/0022-1902(62)80178-x

  日期：1962.3

  The AB2-type selenides and tellurides of niobium, tantalum, molybdenum and tungsten have been prepared in single crystalline form by means of transport reactions. Lattice parameters were determined on the basis of single crystal patterns and are given for the eight compounds. Pertinent thermoelectric parameters, such as electrical resistivity, Seebeck coefficient and thermal conductivity were measured

  铌，钽，钼和钨的AB 2型硒化物和碲化物已经通过传输反应以单晶形式制备。晶格参数是根据单晶图案确定的，并给出了八种化合物的晶格参数。在压实的多晶骨料上测量了相关的热电参数，例如电阻率，塞贝克系数和热导率，并与计算出的“品质因数”一起给出。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Ta: MVol.B1, 6.3, page 110 - 126
  作者：

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Ta: MVol.B1, 3.2, page 30 - 61
  作者：

  DOI：——

  日期：——