异丙醇锆(IV) - CAS号 14717-56-7

物化性质

溶解度：

溶于热异丙醇、温己烷和甲苯。随着时间的推移倾向于沉淀。
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)：

-0.59
重原子数：

21
可旋转键数：

0
环数：

0.0
sp3杂化的碳原子比例：

1.0
拓扑面积：

113
氢给体数：

1
氢受体数：

5

安全信息

危险等级：

4.1
危险品标志：

Xi
安全说明：

S26,S37/39
危险类别码：

R36/37/38
WGK Germany：

3
危险品运输编号：

UN3180
危险类别：

4.1
包装等级：

II
储存条件：

存放于阴凉干燥处。

SDS

SDS：8e1a608fbd59fe33343aa12bc89afd28

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : Zirconium(IV) isopropoxide isopropanol complex
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No. : 14717-56-7

SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Skin irritation (Category 2), H315
Eye irritation (Category 2), H319
Specific target organ toxicity - single exposure (Category 3), H335
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Xi Irritant R36/37/38
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal word Warning
Hazard statement(s)
Causes skin irritation.
Causes serious eye irritation.
May cause respiratory irritation.
Precautionary statement(s)
Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Supplemental Hazard none
Statements
Other hazards - none

SECTION 3: Composition/information on ingredients
Substances
Formula : C15H36O5Zr
Molecular Weight : 387,67 g/mol
CAS-No. : 14717-56-7
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
Tetrakis(isopropoxy)zirconium(IV)*isopropanol adduct
CAS-No. 14717-56-7 Skin Irrit. 2; Eye Irrit. 2; STOT <= 100 %
SE 3; H315, H319, H335
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
Tetrakis(isopropoxy)zirconium(IV)*isopropanol adduct
CAS-No. 14717-56-7 Xi, R36/37/38 <= 100 %
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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
Wash off with soap and plenty of water. 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
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
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available

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
Carbon oxides, Zirconium oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure
adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
For personal protection see section 8.
Environmental precautions
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.

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.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Moisture sensitive.
Specific end use(s)
A part from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Safety glasses with side-shields conforming to EN166 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
impervious clothing, The type of protective equipment must be selected according to the
concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
Use respirators and components tested and approved under appropriate government standards
such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Do not let product enter drains.

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 no data available
h) Evapouration 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 no data available
n) Water solubility no data available
o) Partition coefficient: n- no data available
octanol/water
p) Auto-ignition 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

SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
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
In the event of fire: see section 5

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 sensitisation
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
Inhalation - May cause respiratory irritation.
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: Not available
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

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
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
no data available

SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. 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.

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

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
Further information
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any

SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

用途：合成烯烃官能化的含锆单体的便捷前体，该单体可用于生成含有锆元素的杂化聚合物。

反应信息

作为反应物：

描述：

异丙醇锆(IV) 在 HNO₃ 作用下，以水、异丙醇为溶剂，生成 zirconium(IV) oxide

参考文献：

名称：

Dynamics of Interfacial Electron Transfer from Photoexcited Quinizarin (Qz) into the Conduction Band of TiO₂ and Surface States of ZrO₂ Nanoparticles

摘要：

Electron injection and back-electron-transfer (BET) dynamics of quinizarin (Qz) adsorbed on TiO2 and ZrO2 nanoparticles has been studied by femtosecond transient absorption spectroscopy in the visible and near-IR region. A good fraction of Qz forms a charge-transfer (CT) complex while being adsorbed on the TiO2 or ZrO2 nanoparticles surface. Following photoexcitation of Qz/TiO2 and Qz/ZrO2 systems, electron injection into the nanoparticles has been confirmed for both the systems by direct detection of electron in the nanoparticle and cation radical of Qz (Qz(.+)). The dynamics of BET from TiO2 and ZrO2 to the parent cation has been measured by monitoring the decay kinetics of Qz(.+) and electron in the nanoparticles and it is found to be multiexponential. As S, state of Qz lies below the conduction band edge of ZrO2 so electron injection from S, state into the nanoparticle is not thermodynamically possible. However, the detection of Qz(.+) as well as injected electrons in the case of Qz/ZrO2 system confirms that electron injection also takes place in ZrO2. We have attributed this to the injection into surface states of ZrO2 nanoparticles. It has been observed that electron injection takes place in <50 fs and the majority of the injected electrons come back to the parent cation with a time constant of <1 ps for both the systems. We have observed multiphasic recombination dynamics with time constants ranging from similar to600 fs to the pico-, nano-, and microsecond time scale for both Qz/TiO2 and Qz/ZrO2 systems. Our investigation has revealed that electron injection into the surface states of nanoparticles is possible or facilitated when the adsorbed sensitizer molecule forms a strong CT complex with the semiconductor nanoparticles.

DOI：

10.1021/jp036623r
作为产物：

描述：

氯化锆(IV) 、异丙醇以 not given 为溶剂，生成异丙醇锆(IV)

参考文献：

名称：

新型钛和锆硅氧烷化合物的制备和性能

摘要：

研究了钛硅氧烷和锆硅氧烷化合物的合成和表征。钛硅氧烷和锆硅氧烷化合物是通过二叔丁氧基甲氧基硅烷醇 [DBMS] 与钛或锆醇盐的反应制备的。DBMS 与双（乙酰丙酮）二异丙醇钛和四异丙醇钛反应，分别得到钛硅氧烷化合物 TS12 和 TS14。通过蒸馏或升华分离钛硅氧烷化合物。从其在CDCl3中的13C NMR谱估计TS12是顺式形式。TS14在溶液中稳定，但分离后易分解。ZS12 和 ZS14 分别通过 DBMS 与双（乙酰丙酮）二异丙醇锆和四异丙醇锆反应制备。

DOI：

10.1246/bcsj.68.2951
作为试剂：

描述：

diethylzinc 、邻甲氧基苯胺、环丙甲醛在 N-[(2-hydroxy-5-methoxyphenyl)methyl]-L-valyl-N-butyl-L-phenylalaninamide 、异丙醇锆(IV) 作用下，以甲苯为溶剂，反应 24.0h，以83%的产率得到N-[(1S)-1-cyclopropylpropyl]-2-methoxy-phenylamine

参考文献：

名称：

脂肪族胺的三组分催化不对称合成。

摘要：

DOI：

10.1021/ja0118744

点击查看最新优质反应信息

文献信息

Activation of H2O2 over Zr(IV). Insights from Model Studies on Zr-Monosubstituted Lindqvist Tungstates

作者：Nataliya V. Maksimchuk、Vasilii Yu. Evtushok、Olga V. Zalomaeva、Gennadii M. Maksimov、Irina D. Ivanchikova、Yuriy A. Chesalov、Ilia V. Eltsov、Pavel A. Abramov、Tatyana S. Glazneva、Vadim V. Yanshole、Oxana A. Kholdeeva、R. John Errington、Albert Solé-Daura、Josep M. Poblet、Jorge J. Carbó

DOI：10.1021/acscatal.1c02485

日期：2021.8.20

(Bu4N)2[W5O18Zr(H2O)3] (1) and (Bu4N)6[W5O18Zr(μ-OH)}2] (2), have been employed as molecular models to unravel the mechanism of hydrogen peroxide activation over Zr(IV) sites. Compounds 1 and 2 are hydrolytically stable and catalyze the epoxidation of C═C bonds in unfunctionalized alkenes and α,β-unsaturated ketones, as well as sulfoxidation of thioethers. Monomer 1 is more active than dimer 2. Acid

Zr-单取代的 Lindqvist 型多金属氧酸盐 (Zr-POM)，(Bu 4 N) 2 [W 5 O 18 Zr(H 2 O) 3 ] ( 1 ) 和 (Bu 4 N) 6 [W 5 O 18 Zr( μ-OH)} 2 ] ( 2 )，已被用作分子模型来揭示过氧化氢在 Zr(IV) 位点上的活化机制。化合物1和2具有水解稳定性，可催化未官能化烯烃和 α,β-不饱和酮中 C=C 键的环氧化以及硫醚的磺化氧化。单体1比二聚体2更活跃。酸添加剂大大加速了氧化反应，并将氧化剂利用效率提高到>99%。产物分布表明异裂氧转移机制，该机制涉及在 Zr-POM 和 H 2 O 2相互作用时形成的亲电氧化物质。1和2与 H 2 O 2的相互作用以及由此产生的过氧衍生物已通过 UV-vis、FTIR、拉曼光谱、HR-ESI-MS 和组合 HPLC-ICP-原子发射光谱技术进行了研究。一个之间的相互作用17
Synthesis and characterization of dimetallacalix[8]arene complexes

作者：Gretchen E. Hofmeister、Eugenio Alvarado、Julie A. Leary、Dong I. Yoon、Steven F. Pedersen

DOI：10.1021/ja00180a028

日期：1990.11

The one-pot synthesis of a variety of [4-tert-butylcalix [8] arene (MOR) 2 ] − [M' or R'NH 3 ] + (M=Ti, Zr, V, Sn; M'=Li, Na, K) complexes is described. The 1 H NMR spectra of these compounds possess several interesting features, including upfield shifts of α or β protons on the alkoxide ligand and a phenol hydroxyl resonance. The upfield shift is due to shielding of the alkoxide ligand by the aryl

一锅法合成多种[4-叔丁基杯[8]芳烃(MOR) 2 ] − [M'或R'NH 3 ] + (M=Ti, Zr, V, Sn; M'=Li , Na, K) 络合物进行了描述。这些化合物的 1 H NMR 光谱具有几个有趣的特征，包括醇盐配体上 α 或 β 质子的高场位移和苯酚羟基共振。上场位移是由于杯芳烃大环的芳环屏蔽了醇盐配体。配体位于空腔中，空腔由大环的三个芳环组成。快速原子轰击质谱 (FABMS) 和串联质谱已被用于获取分子离子信息以及从这些复合物中识别碎片离子
Group 4 complexes of salicylbenzoxazole ligands as effective catalysts for the ring-opening polymerization of lactides, epoxides and copolymerization of ε-caprolactone with L-lactide

作者：Sreenath Pappuru、Debashis Chakraborty、J. Vijaya Sundar、Sagnik K. Roymuhury、Venkatachalam Ramkumar、Vinodh Subramanian、Dillip Kumar Chand

DOI：10.1016/j.polymer.2016.08.007

日期：2016.10

are (H, H, H) for L1H; (H, H, Cl) for L2H; (Br, Br, H) for L3H; and (Cl, Cl, H) for L4H. The mononuclear Ti complexes, 1a-4a of [M(L)2(OiPr)2] formulation were prepared by combining the pro-ligands L1H-L4H with Ti(OiPr)4 in dry toluene. However, with the addition of H2O (0.5 M equiv.), the controlled hydrolysis of Ti complex 4a in a mixed solvent of THF/toluene produced oxo-bridged dinuclear Ti complex

使一系列水杨基苯并恶唑原配体2-（5-X-苯并恶唑-2-基）-6-R 1 -4-R 2-苯酚L 1 H-L 4 H与钛，锆和ha的醇盐反应。存在于配体前骨中的取代基（R 1，R 2，X）为L1H的（H，H，H）；（H，H，Cl）为L2H ; L3H的（Br，Br，H）; L4H的（Cl，Cl，H）和。通过将原配体L1H-L4H与Ti（O i Pr）结合制备[M（L）2（O i Pr）2 ]制剂的单核Ti配合物1a-4a4在无水甲苯中。但是，通过添加H 2 O（0.5 M当量），在THF /甲苯混合溶剂中控制Ti络合物4a的水解，生成具有[M（μ-O）（L）的氧桥联双核Ti络合物5a。2（O i Pr）] 2配方使用L4H作为原配体，收率良好（≥75％）。发现L1H-L4H的单核Zr和Hf配合物的组成与Ti配合物的组成非常相似。另外，制备单核Zr复合物1b-4b和Hf复合物1c-4c。氧桥双
Aryloxy and benzyloxy compounds of zirconium: Synthesis, structural characterization and studies on solvent-free ring-opening polymerization of ɛ-caprolactone and δ-valerolactone

作者：Ravikumar R. Gowda、Debashis Chakraborty、Venkatachalam Ramkumar

DOI：10.1016/j.jorganchem.2010.09.026

日期：2011.1

degree of fluxional behavior of these compounds was understood through variable-temperature NMR studies. X-ray diffraction studies prove that these compounds exist as dimers in the solid state. They are potent catalysts for the ring-opening polymerization of ɛ-caprolactone (CL) and δ-valerolactone (VL) resulting in high polymers with good number average molecular weights (Mn) and molecular weight distributions

采用醇解路线，以高收率和纯度合成了一系列Zr（IV）的芳氧基化合物和苄氧基衍生物。通过不同的光谱技术和单晶X射线衍射对它们进行了完全表征。通过变温NMR研究了解了这些化合物的高度通量行为。X射线衍射研究证明，这些化合物以二聚体形式存在于固态。它们是ε-己内酯（CL）和δ-戊内酯（VL）开环聚合的有效催化剂，可产生具有良好数均分子量（M n）和分子量分布（MWD）。当与钛类似物相比时，发现锆化合物在这些聚合反应中的控制程度更好。如动力学研究所知，发现锆化合物的聚合速率较慢。使用这些化合物合成的CL的低分子量低聚物的MALDI-TOF和1 H NMR光谱分析表明，这些聚合反应是通过活化的单体机理进行的。
Alternating Sequence Controlled Copolymer Synthesis of α-Hydroxy Acids via Syndioselective Ring-Opening Polymerization of O-Carboxyanhydrides Using Zirconium/Hafnium Alkoxide Initiators

作者：Yangyang Sun、Zhaowei Jia、Changjuan Chen、Yong Cong、Xiaoyang Mao、Jincai Wu

DOI：10.1021/jacs.7b04712

日期：2017.8.9

challenges until now for lack of suitable catalysts/initiators. In this work, a highly syndioselective ROP of OCAs system as the first stereoselective example in this area is reported using zirconium/hafnium alkoxides as initiators with the highest Pr value up to 0.95. Furthermore, these initiators were successfully applied in the precisely alternating sequence controlled copolymerization of PheOCA and

O-羧酸酐（OCA）的开环聚合（ROP）由于易于修饰OCA的侧基，可以得到具有不同官能团的多种聚（α-羟基酸）（PAHAs），这可以扩展PAHAs的应用广泛。由于缺乏合适的催化剂/引发剂，O-羧酸酐的立体选择性聚合和OCA的进一步顺序控制交替共聚仍然是一个巨大的挑战。在这项工作中，报道了使用锆/铪醇盐作为引发剂的 OCA 系统的高度间选择性 ROP 作为该领域的第一个立体选择性例子，最高 Pr 值高达 0.95。此外，这些引发剂已成功应用于 PheOCA 和 Tyr(Bn)OCA 的精确交替顺序控制共聚，

异丙醇锆(IV) | 14717-56-7

物质功能分类

分子结构分类

物化性质

计算性质

安全信息

SDS

制备方法与用途

反应信息

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