tris(2,2,6,6-tetramethyl-3,5-heptanedionato)gadolinium(III) | 14768-15-1

• 物质功能分类: 有机原料 - 有机金属类化合物 - 有机铋、钴、镨、钆、镓、铱、铼、钇、铽等
• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: tris(2,2,6,6-tetramethyl-3,5-heptanedionato)gadolinium(III)
• 英文别名: Gd(DPM)3；gadolinium tris(2,2,6,6-tetramethyl-3,5-heptanedionato)；gadolinium(III) tris-2,2,6,6-tetramethyl-3,5-heptanedione；gadolinium dipivaloylmethanate；gadolinium(III) tris(2,2,6,6-tetramethyl-3,5-heptanedionate)；{Gd(2,2,6,6-tetramethyl-3,5-heptanedionate)3}；Gd(2,2,6,6-tetramethyl-3,5-heptanedionato)3；tris(dipivaloylmethanate)gadolinium(III)；tris(dipivaloylmethanato)gadolinium；tris(dipivaloylmethanato)Gd(III)；gadolinium tris(2,2,6,6-tetramethylheptane-3,5-dionate)；[Gd(thd)3]；Tris(2,2,6,6-tetramethylheptane-3,5-dionato-O,O')gadolinium；gadolinium(3+);(Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate
• CAS: 14768-15-1
• 化学式: C₃₃H₅₇GdO₆
• 分子量: 707.062
• InChiKey: DPHFYRREQBVMBY-LWTKGLMZSA-K

物化性质

• 熔点：
  182-184 °C(lit.)
• 沸点：
  295°C
• 稳定性/保质期：

  在常温常压下稳定，应避免与水分、潮湿及酸氧化物接触。

计算性质

• 辛醇/水分配系数(LogP)：
  5.68
• 重原子数：
  40
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  120
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• TSCA：
  No
• 危险品标志：
  Xi
• 安全说明：
  S24/25
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• 储存条件：
  常温下应密闭避光保存，并保持通风和干燥。

SDS

Name:	Tris(2 2 6 6-Tetramethyl-3 5-Heptanedionato)Gadolinium 99.9% Material Safety Data Sheet
Synonym:	Gadolinium Tris(2,2,6,6-Tetramethyl-3,5-Heptanedionate)
CAS:	14768-15-1

Section 1 - Chemical Product MSDS Name:Tris(2 2 6 6-Tetramethyl-3 5-Heptanedionato)Gadolinium 99.9% Material Safety Data Sheet
Synonym:Gadolinium Tris(2,2,6,6-Tetramethyl-3,5-Heptanedionate)

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
14768-15-1	Tris(2,2,6,6-Tetramethyl-3,5-Heptanedi	99.9%	238-834-4

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Hygroscopic (absorbs moisture from the air).The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: 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:
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.
Notes to Physician:

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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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. 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# 14768-15-1: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 182 - 184 deg C
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: insoluble
Specific Gravity/Density:
Molecular Formula: C33H57GdO6
Molecular Weight: 706.6454

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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, moisture, exposure to moist air or water.
Incompatibilities with Other Materials:
Moisture, strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 14768-15-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Tris(2,2,6,6-Tetramethyl-3,5-Heptanedionato)Gadolinium - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 14768-15-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 14768-15-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 14768-15-1 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  tris(2,2,6,6-tetramethyl-3,5-heptanedionato)gadolinium(III) 以 neat (no solvent) 为溶剂， 生成 gadolinium(III) oxide
  参考文献：
  名称：

  摘要：

  The thermal decomposition reactions of crystalline chelates of general formula Ln(thd)(3) (Ln=La, Pr, Nd, Sm and Gd; thd=2,2,6,6-tetramethyl-3,5-heptanedione) have been studied by isothermal thermogravimetry. Several models were proposed initially to calculate the kinetic parameters by isothermal method, thus the time reduced method was used to define the best kinetic models. The Avrami-Erofeev (Am=2, 3 and 4) and R1 and R2 models presented good agreement with experimental data, as well as, linear correlation coefficient (r) and standard deviation (s).

  DOI：

  10.1023/a:1013919014587
• 作为产物：
  描述：

  [tris(dipivaloylmethanato)diaqua]Gd(III) 以 neat (no solvent) 为溶剂， 生成 tris(2,2,6,6-tetramethyl-3,5-heptanedionato)gadolinium(III)
  参考文献：
  名称：

  辅助配体N，N-二甲基氨基乙醇在二聚体β-二酮酸酯中Eu（III）和Tb（III）发光敏化中的作用。

  摘要：

  两种二聚体复合物[Ln2（hfa）6（mu2-O（CH2）2NHMe2）2]和[Ln（thd）2（mu2，eta2-O（CH2）2NMe2）] 2（Ln = YIII，EuIII，GdIII ，TbIII，TmIII，LuIII； hfa- =六氟乙酰丙酮，thd- =二新戊酰基甲酰氨基）分别通过[Ln（hfa）3（H2O）2]和[Ln（thd）3]与N，N-二甲基氨基乙醇的反应制得并具有充分的特征。对TbIII化合物进行的X射线单晶分析证实了其二聚体结构。N，N-二甲基氨基乙醇的配位方式取决于β-二酮酸酯的性质。在[Tb2（hfa）6（mu2-O（CH2）2NHMe2）2]中，八配位的TbIII离子采用扭曲的方形反棱柱配位环境，并被两个带有Tb1的两性离子N，N-二甲基氨基乙醇配体O桥。 Tb2分离为3.684（1）A。在[Tb（thd）2（mu2，eta2-O（CH2）2NMe2）] 2中，N

  DOI：

  10.1021/jp711305u

文献信息

• Crystal Structures of [Dy(dpm)3]2 and Dy(dpm)3, Luminescent and X-Ray Fluorescent Study of Lanthanide(III) Tris-Dipivaloylmethanates
  作者：Huang Shen、A. S. Berezin、O. V. Antonova、V. V. Zvereva、I. V. Korolkov、N. V. Pervukhina、S. A. Prokhorova、P. A. Stabnikov

  DOI：10.1134/s0022476618030265

  日期：2018.5

  Crystal structures of [Dy(dpm)3]2 (1) at 155(2) K (space group P21/n, a = 12.2191(3) Å, b = 27.6044(6) Å, с = 21.8615(5) Å, β = 105.172(1)°, V = 7116.9(3) Å3, Z = 4) and Dy(dpm)3 (2) at 200(2) K (space group Pmn21, a = 17.8741(7) Å, b = 10.5639(4) Å, с = 9.8336(4) Å, V = 1856.78(13) Å3, Z = 2) are determined. The structure of complex 1 is similar to the previously known dimeric packings [Ln(dpm)3]2

  [Dy(dpm)3]2 (1) 在 155(2) K 的晶体结构（空间群 P21/n，a = 12.2191(3) Å，b = 27.6044(6) Å，с = 21.8615(5) Å , β = 105.172(1)°, V = 7116.9(3) Å3, Z = 4) 和 Dy(dpm)3 (2) 在 200(2) K（空间群 Pmn21, a = 17.8741(7) Å, b = 10.5639(4) Å, ñ = 9.8336(4) Å, V = 1856.78(13) Å3, Z = 2)。配合物 1 的结构类似于先前已知的二聚体填料 [Ln(dpm)3]2 (Ln = La, Pr, Nd, Eu, Gd, Tb)。配合物 2 与先前研究的分子配合物 Er(dpm)3 和 Lu(dpm)3 是同构的。在室温下，发现 Tb(dpm)3 的发光量子产率 (QY) 达到 77%，Dy(dpm)3
• Mass spectra of tris-2,2,6,6-tetramethyl-3,5-heptanedionegadolinium
  作者：C. Hirayama、R.G. Charles、R.D. Straw、P.G. Sullivan

  DOI：10.1016/0040-6031(85)85462-9

  日期：1985.7

  Abstract Tris-2,2,6,6-tetramethyl-3,5-heptanedionegadolinium [Gd(thd) 3 ] is characterized by a complex mass spectrum which consists of a multitude of ions that are formed by electron impact. The spectrum appears to show the presence of metastable species at high m/e . The ionization and appearance potentials of the three dominant ions, Gd(thd) + 3 , [Gd(thd) 3 -C 4 H 9 ] + , and Gd(thd) + 2 , are

  摘要 Tris-2,2,6,6-tetramethyl-3,5-heptanedionegadolinium [Gd(thd) 3 ] 的特征是复杂的质谱，由电子碰撞形成的大量离子组成。光谱似乎显示在高 m/e 下存在亚稳态物质。三个主要离子 Gd(thd) + 3 、[Gd(thd) 3 -C 4 H 9 ] + 和 Gd(thd) + 2 的电离和出现电位分别为 7.0、9.5 和 12.5 ± 0.2 eV，分别。
• Photoluminescent compounds
  申请人：Qinetiq Limited

  公开号：US07230127B2

  公开（公告）日：2007-06-12

  Triboluminescent materials comprising M wherein M is chosen from Tb, Eu, Sm, Dy and from 75% to 99.99% of M is replaced by Y, Gd, La or Lu.

  发光材料包括M，其中M选择自Tb，Eu，Sm，Dy，M的75％至99.99％被Y，Gd，La或Lu所替代。
• Studies on the mixed ligand complexes of rare earths with dipivaloylmethane and pyrazine
  作者：M. Shameem Ansari、Naseer Ahmad

  DOI：10.1016/0022-1902(75)80838-4

  日期：1975.10

  The mixed ligand complexes, tris(dipivaloylmethanato) pyrazinates of trivalent lanthanide (except Ce, Pm and Lu) and yttrium ions were synthesised and characterised by elemental analyses, melting points, thermogravimetric analyses, magnetic moments, molar conductances and i.r. spectrum. The complexes are Ln(dpm)3Pz where Ln = trivalent lanthanide or yttrium ion, dpm = dipivaloylmethane and Pz = pyrazine

  合成了混合的配体配合物，三价镧系元素的三（对二戊酰甲酰氨基）吡嗪酸盐（Ce，Pm和Lu除外）和钇离子，并通过元素分析，熔点，热重分析，磁矩，摩尔电导和红外光谱对其进行了表征。络合物为Ln（dpm）3 Pz，其中Ln =三价镧系元素或钇离子，dpm =二戊酰甲烷，Pz​​ =吡嗪。熔点随着原子序数的增加而降低。在吡嗪在氮气下加热之前，失去了二戊酰甲烷。络合物是非电解质。磁矩是正常的。讨论了红外光谱。
• Preparation and X-ray crystal structure (for Ln = Sm) of (µ-phthalocyaninato)bis[di(2,2,6,6-tetramethylheptane-3,5-dionato)Ln^III](Ln = Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, and Y)
  作者：Hiroshi Sugimoto、Teruaki Higashi、Atsushi Maeda、Masayasu Mori、Hideki Masuda、Tooru Taga

  DOI：10.1039/c39830001234

  日期：——

  The reaction of dilithium phthalocyanine with tris(2,2,6,6-tetramethylheptane-3,5-dionato)LnIII(Ln = Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, and Y) affords a series of (µ-phthalocyaninato)(diketonato)4Ln2complexes; the X-ray crystal structure of the samarium compound shows that the phthalocyanine ligand bridges two samarium atoms each co-ordinated by two β-diketonato ligands, and important molecular parameters

  酞菁二锂与三（2,2,6,6-四甲基庚烷-3,5-dionato）Ln III（Ln = Sm，Eu，Gd，Tb，Dy，Ho，Er，Tm，Yb和Y）的反应提供一系列（µ -phthalocyaninato）（diketonato）4 Ln 2配合物；mar化合物的X射线晶体结构表明，酞菁配体桥接两个sa原子，每个atoms原子由两个β-二酮基配体配位，重要的分子参数包括Sm–O av 2.284（17），Sm–N av 2.656（ 16）和Sm–Sm平均3.627（3）Å。