碘化镥(III) | 13813-45-1

• 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 - 镧系盐
• 中文名称: 碘化镥(III)
• 中文别名: 碘化镥；超干碘化镥(III)
• 英文名称: lutetium(III) iodide
• 英文别名: lutetium triiodide；Lutetium(III)iodide；lutetium(3+);triiodide
• CAS: 13813-45-1
• 化学式: I₃Lu
• 分子量: 555.681
• InChiKey: NZOCXFRGADJTKP-UHFFFAOYSA-K

物化性质

• 熔点：
  1050°C
• 密度：
  5.6 g/mL at 25 °C(lit.)
• 溶解度：
  易溶于氯仿、四氯化碳和二硫化碳。
• 稳定性/保质期：
  在常温常压下保持稳定，应避免接触水分、潮湿环境、光线以及氧化物。

计算性质

• 辛醇/水分配系数(LogP)：
  2.66
• 重原子数：
  4
• 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：
  0

ADMET

毒理性

• 副作用

纤维原性 - 引发组织损伤和纤维化（疤痕形成）。

Fibrogenic - Inducing tissue injury and fibrosis (scarring).

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

安全信息

• TSCA：
  Yes
• WGK Germany：
  3
• RTECS号：
  ED2700000
• 储存条件：
  常温密闭，阴凉通风干燥

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : Lutetium(III) iodide
CAS-No. : 13813-45-1

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Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
Not a hazardous substance or mixture according to EC-directives 67/548/EEC or 1999/45/EC.
Label elements
The product does not need to be labelled in accordance with EC directives or respective national laws.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : I3Lu
Molecular Weight : 555,68 g/mol

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Section 4. FIRST AID MEASURES
Description of first aid measures
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration.
In case of skin contact
Wash off with soap and plenty of water.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water.
Most important symptoms and effects, both acute and delayed
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 extinguishing measures that are appropriate to local circumstances and the surrounding environment.
Special hazards arising from the substance or mixture
Hydrogen iodide, lutetium oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
The product itself does not burn.

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Avoid dust formation. Avoid breathing vapors, mist or gas.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
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
Provide appropriate exhaust ventilation at places where dust is formed.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
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
General industrial hygiene practice.
Personal protective equipment
Eye/face protection
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
Choose body protection in relation to its type, to the concentration and amount of dangerous
substances, and to the specific work-place., The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
use type N95 (US) or type P1 (EN 143) dust masks. 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: powder
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and no data available
boiling range
g) Flash point not applicable
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 5,6 g/mL at 25 °C
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
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 May be harmful if inhaled. May cause respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. May cause skin irritation.
Eyes May cause eye irritation.
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.
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
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

理化性质

碘化镥是一种镥的碘化物，化学式为LuI₃。它呈现为米白色粉末或多晶块状，易溶于水和酸，并且极易吸湿，因此需要密封保存。

用途

碘化镥主要用于制备闪烁晶体。掺铈的碘化镥晶体（LuI₃:Ce³⁺）是性能优异的闪烁材料。

应用

掺稀土离子的碘化镥晶体是一种具有优异闪烁性能的材料。由于镥离子与多种稀土离子在离子半径和离子价态方面相近，因此可以大量掺杂各种稀土离子。例如，铈离子掺杂的碘化镥晶体展现出高光输出、快衰减及良好的能量分辨率、时间分辨率和线性响应特性，其发光效率高于氟化物晶体与氧化物晶体，从而大幅提高了闪烁探测仪的效率。此外，铕离子掺杂的碘化镥晶体与铽离子掺杂的碘化镥晶体的闪烁性能也非常优异，适用于安检、闪烁荧光屏等领域。

制备

碘化镥可以通过金属镥和碘化汞加热反应得到：

2 Lu + 3 HgI₂ → 2 LuI₃ + 3 Hg

生成的单质汞可通过蒸馏除去。从溶液中结晶出的碘化镥水合物可以与碘化铵一起加热，从而得到无水物。

反应信息

• 作为反应物：
  描述：

  N,N-二甲基丙烯基脲 、 碘化镥(III) 以 neat (no solvent) 为溶剂， 生成 hexakis(N,N'-dimethylpropyleneurea)lutetium(III) iodide
  参考文献：
  名称：

  N，N'-二甲基丙烯脲在溶液和固态中溶剂化镧系元素（III）离子的结构研究与镧系元素（III）离子的离子半径分析

  摘要：

  已在dmpu溶液（La-Nd，Sm-Lu）和固态碘盐（La-Nd，Sm，Gd-Lu）中研究了N，N'-二甲基丙烯脲（dmpu）溶剂化镧系元素（III）离子的结构通过扩展的X射线吸收精细结构（EXAFS）和单晶X射线衍射（La，Pr，Nd，Gd，Tb，Er，Yb和Lu）；EXAFS研究同时针对K和L III吸收边缘。由于dmpu在配位时对空间的要求，因此dmpu溶剂化的金属离子的配位数通常低于在氧供体溶剂的相应水合物和溶剂化物中所发现的配位数，而对空间的要求不超过供体原子的大小。除以规则八面体形式六配位的（（III）外，所有镧系元素（III）离子在溶液中均为七配位，而在固态碘盐中，dmpu溶剂化的镧系元素（III）离子在规则八面体中均为六配位。时尚。在具有中性氧供体配体和不同构型的大量镧系元素（III）配合物中，Ln-O键长的比较表明，金属离子-氧的距离对于每个配位数而言都是特定的，且键距分

  DOI：

  10.1021/ic100034q
• 作为产物：
  描述：

  [Lu(water)8](I)3 以 neat (no solvent, solid phase) 为溶剂， 以99%的产率得到碘化镥(III)
  参考文献：
  名称：

  甲醇取代的卤化镧的结构表征

  摘要：

  使用甲醇（MeOH）进行了卤化镧[LaX（3）]衍生物的醇溶化作为降低LaBr（3）闪烁体生产温度的一种手段的首次研究。最初，通过在室温下简单地将1溶解在MeOH中，研究了{[La（micro-Br）（H（2）O）（7）]（Br）（2）}（2）（1）的脱水。分离出混合的溶剂化物单体[La（H（2）O）（7）（MeOH）（2）]（Br）（3）（2）化合物，其中La金属中心通过与两种其他的MeOH溶剂，但必须将内球Br转移到外球。为了尝试将1的甲醇中的反应混合物在CaH（2）上干燥，分离了[Ca（MeOH）（6）]（Br）（2）（3）的晶体。在回流温度下将化合物1溶解在MeOH中，导致分离出异常结构，该结构被确定为盐衍生物{[LaBr（2.75）* 5.25（MeOH）]（+ 0.25）[LaBr（3.25）* 4.75（MeOH）]（- 0.25）}（4）。最终，通过将干燥的LaBr（3）溶

  DOI：

  10.1016/j.poly.2010.02.027

文献信息

• Auto-ionization in Lutetium Iodide Complexes:  Effect of the Ionic Radius on Lanthanide−Iodide Binding
  作者：Garth R. Giesbrecht、John C. Gordon、David L. Clark、Brian L. Scott

  DOI：10.1021/ic035090y

  日期：2004.2.1

  LuI(3)(HO(i)Pr)(4) (1). An X-ray crystal structure reveals an ionic structure with well-separated [LuI(2)(HO(i)Pr)(4)] cations and [I] anions. Dissolution of 1 in pyridine generates the unusual alkoxide species [LuI(O(i)Pr)(py)(5)][I] (2) with the elimination of HI. An X-ray crystal structure of 2 confirmed the ionic nature of the compound, with the cationic portion of the complex exhibiting a seven-coordinated

  2-金属与1.5当量元素碘在2-丙醇中的反应导致LuI（3）（HO（i）Pr）（4）的分离（1）。X射线晶体结构揭示了具有良好分离的[LuI（2）（HO（i）Pr）（4）]阳离子和[I]阴离子的离子结构。在吡啶中溶解1会生成不常见的醇盐物种[LuI（O（i）Pr）（py）（5）] [I]（2），并且消除了HI。X-射线晶体结构为2证实了该化合物的离子性质，配合物的阳离子部分表现出具有七个配位的碘和醇盐配体的five配位的center中心，以及五个在赤道面内均等位移的吡啶分子。将2暴露于碘代三甲基硅烷会产生预期的三碘化物物种[LuI（2）（py）（5）] [I]（3），也可以通过将市售LuI（3）在THF中回流制备，然后从THF /吡啶混合物中结晶。3的固态结构类似于2的固态结构，其中醇盐配体已经被碘化物取代。与较高配位的中性物质相反的离子结构1-3的形成可以追溯到小中心以及在金属配位区内存在相对较强的Lewis碱。
• On the Reactivity of Lanthanide Iodides LnIx (x < 3) Formed in the Reactions of Lanthanide Metals with Iodine
  作者：G. V. Khoroshenkov、T. V. Petrovskaya、I. L. Fedushkin、M. N. Bochkarev

  DOI：10.1002/1521-3749(200203)628:3<699::aid-zaac699>3.0.co;2-u

  日期：2002.3

  Phenoxi- bzw. Alkoxilanthanoiddiiodiden ROLnI2(THF)x (R = Ph, iC3H7, tBu; x = 2, 3 oder 5) in Ausbeuten bis zu 55 %. Die Umsetzungen mit Cyclopentadien in THF ergibt die Komplexe CpLnI2(THF)3 in Ausbeuten bis zu 60 %. Aus der Umsetzung von LaIx mit 2, 2'-Bipyridin (bipy) wurde der Komplex LaI2(bipy)2-(THF)2 erhalten. Triphenylcarbinol, Stilben, Naphthalin und Anthracen reagieren mit den erhaltenen Praparaten

  组成为 LnIx（Ln = Sc、Y、La、Ce、Pr、Gd、Ho 和 Er；x < 3）的还原镧系元素碘化物是通过过量的适当金属与碘在高温下反应获得的。Sc、Y 和 La 衍生物的抗磁性表明这些产品中金属的三价态。与 Nd(II)、Dy(II) 和 Tm(II) 的二碘化物相比，分离的固体不溶于 THF、DME 或液氨。尽管它们不溶于四氢呋喃，但所有这些产物在该介质中很容易与苯酚或醇反应生成相应的苯氧基或烷氧基镧系元素二碘化物 ROLnI2(THF)x (R = Ph, i-C3H7, t-Bu; x = 2, 3 或 5) 的产率高达 55 %。它们与环戊二烯在 THF 中的相互作用提供了复合物 CpLnI2(THF)3，产率高达 60%。来自 LaIx 与 2, 2' 的反应 -联吡啶(bipy)，分离出复合物LaI2(bipy)2(THF)2。三苯基甲醇、芪、萘和蒽对所得物质呈惰性。Reaktivitat
• Solid-State and Solution Properties of Cationic Lanthanide Complexes of a New Neutral Heptadentate N4O3 Tripodal Ligand
  作者：Florence Bravard、Yann Bretonnière、Raphaël Wietzke、Christelle Gateau、Marinella Mazzanti、Pascale Delangle、Jacques Pécaut

  DOI：10.1021/ic034692e

  日期：2003.12.1

  for the two ligands. Quite surprisingly, the formation constant of the Eu(tpaam)Cl(3) complex in D(2)O at 298 K (log beta(110) = 2.34(4)) is very similar to the one reported for Eu(tpa)Cl(3) (log beta(110) = 2.49(4) at 298 K in D(2)O) indicating that the addition of three amide groups to the ligand tpa does not lead to any increase in stability of the lanthanide complexes of tpaam compared to those

  描述了潜在的七齿配体三[6-（（2-N，N-二乙基氨基甲酰基）吡啶基）甲基]胺tpaam的合成，其中含有三个与中央氮原子相连的吡啶甲酰胺臂。制备并表征了该配体的镧系元素络合物。确定了三种镧系离子（La，Nd，Lu）的配合物的晶体结构。tpaam的镧系元素（III）配合物结晶为单体物质（在存在氯离子或碘化物抗衡离子的情况下），其中tpaam配体充当N4O3供体。此处给出的晶体结构表明，tpaam络合物中的Ln [O]和Ln [N]（吡啶基）距离与tpaa络合物中的相近（H（3）tpaa = alpha，alpha'，alpha尽管电荷不同，但仍是'-硝基三（6-甲基-2-吡啶羧酸）。与tpa（三[[（2-吡啶基）甲基]胺]配合物相比，在tpaam配合物中观察到Ln [N] N（顶端）距离的延长，这对于较大的镧系元素而言要比对较小的镧系元素更明显。在整个4f系列中分析了tpaam配合物的溶液结
• Crystallographic and Vibrational Spectroscopic Studies of Octakis(DMSO)lanthanoid(III) Iodides
  作者：Alireza Abbasi、Emiliana Damian Risberg、Lars Eriksson、János Mink、Ingmar Persson、Magnus Sandström、Yurii V. Sidorov、Mikhail Yu. Skripkin、Ann-Sofi Ullström

  DOI：10.1021/ic7006588

  日期：2007.9.1

  The octakis(DMSO) (DMSO = dimethylsulfoxide) neodymium(III), samarium(III), gadolinium(III), dysprosium(III), erbium(III), and lutetium(III) iodides crystallize in the monoclinic space group P21/n (No. 14) with Z = 4, while the octakis(DMSO) iodides of the larger lanthanum(III), cerium(III), and praseodymium(III) ions crystallize in the orthorhombic space group Pbca (No. 61), Z = 8. In all [Ln(OS(Me2)8]I3

  完整的半刚性DMSO分子具有受限制的几何形状和部分占有率，可用于替代位点。此障碍模型还应用于先前收集的单斜晶八碘（DMSO）钇（III）碘化物数据。在环境温度下，八个Ln-O键距分布在约0.1 A的范围内。平均值从Ln-O 2.30、2.34、2.34、2.36、2.38、2.40增加到2.43 A（Ln = Lu，Er，单斜[Ln（OSMe2）8] I3结构的Y，Dy，Gd，Sm和Nd）以及正交晶结构的Y，Dy，Gd，Sm和Nd分别为2.44、2.47至2.49 A（Ln = Pr，Ce和La）。La-O和Nd-O键距的平均值分别保持在100 K，2.49和2.43 A不变。尽管更长的键距和更大的Ln-OS角，但正交晶结构的细胞体积较小（Ln = Pr，Ce，与La）相比，Ln = Nd的单斜结构显示出更有效的堆积安排。[Ln（OS（CH3）2）8] I3（Ln = La，Ce，Pr，N
• {Os ₅ Lu ₂₀ }I ₂₄ , the First Extended Cluster Complex of Lutetium with Eight‐Coordinate Endohedral Osmium Atoms in Two Different Environments
  作者：Matthias Brühmann、Anja‐Verena Mudring、Martin Valldor、Gerd Meyer

  DOI：10.1002/ejic.201100451

  日期：2011.9

  from a conproportionation reaction of lutetium and lutetium triiodide in the presence of osmium in an arc-welded tantalum container at 850–1200 °C. The crystal structure has been determined by single-crystal X-ray diffraction analysis. Square antiprisms and cubes of lutetium atoms in a 4:1 ratio share common square faces in a chain; they encapsulate osmium atoms and are surrounded by iodide ions. Os–Os

  Os5Lu20}I24 是由镥和三碘化镥在锇存在下在 850-1200 °C 的电弧焊接钽容器中进行比例化反应获得的。晶体结构已通过单晶 X 射线衍射分析确定。方形反棱镜和 4:1 比例的镥原子立方体在链中共享共同的方形面；它们包裹着锇原子并被碘离子包围。簇链内的 Os-Os 距离（299、303 和 325 pm）意味着即使相邻锇原子之间没有键合也很少。簇复合链以六边形最密堆积棒的方式堆积。这些链之间只有范德瓦尔斯相互作用，因为最短的链间 Lu-I 距离 468 pm 证明了这一点。电子结构计算主要显示 Os-Lu 和 Lu-I 键合，Lu-Lu 和 Os-Os 贡献可以忽略不计。值得注意的是接近费米能级的大量 Lu-5d 状态。磁化率测量显示出复杂的磁性行为，Os5Lu20} 链中的铁磁耦合和链之间的反铁磁耦合会导致几何受挫。因此，自旋系统具有簇状玻璃状基态。