ziconium(IV) oxychloride octahydrate | 13520-92-8

• 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
• 英文名称: ziconium(IV) oxychloride octahydrate
• 英文别名: zirconium oxychloride octahydrate；zirconyl chloride octahydrate；zirconium(IV) oxychloride octahydrate；zirconium(IV) oxide chloride octahydrate；ZrOCl2*8H2O；Oxozirconium(2+);dichloride;hydrate
• CAS: 13520-92-8
• 化学式: Cl₂OZr*8H₂O
• 分子量: 322.252
• InChiKey: SDFOCNSOSARAKC-UHFFFAOYSA-L

物化性质

• 熔点：
  400°C (dec.)
• 沸点：
  210°C
• 密度：
  1.91
• 溶解度：
  可溶于水中
• 暴露限值：
  ACGIH: TWA 5 mg/m3; STEL 10 mg/m3NIOSH: IDLH 25 mg/m3; TWA 5 mg/m3; STEL 10 mg/m3
• 稳定性/保质期：

  常温常压下稳定，应避免与水分和潮湿的氧化物以及碱金属接触。

  该物质在150℃时会失去6个结晶水，在210℃时变成无水物。它能溶于水、甲醇、乙醇和醚，并且微溶于盐酸，不溶于其他有机溶剂。在空气中稳定，可溶于冷水和乙醇。加热后则会脱水、分解并转变为氧化锆。

计算性质

• 辛醇/水分配系数(LogP)：
  -6.94
• 重原子数：
  5
• 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：
  18.1
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• TSCA：
  Yes
• 危险等级：
  8
• 危险品标志：
  C
• 安全说明：
  S26,S27,S36/37/39,S45
• 危险类别码：
  R22,R34
• WGK Germany：
  1
• 海关编码：
  2827 49 90
• 危险品运输编号：
  UN 3264 8/PG 3
• 危险类别：
  8
• RTECS号：
  ZH7250000
• 包装等级：
  III

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : Zirconium atomic spectroscopy standard
concentrate 1.00 g Zr
: Fluka

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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]
Skin corrosion (Category 1B)
Specific target organ toxicity - single exposure (Category 3)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Causes burns. Irritating to respiratory system.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Danger
Hazard statement(s)
Causes severe skin burns and eye damage.
May cause respiratory irritation.
Precautionary statement(s)
Avoid breathing vapours.
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.
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)
R34 Causes burns.
R37 Irritating to respiratory system.
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
Mixtures
Synonyms : Zirconium(IV) oxychloridesolution
Molecular Weight : 178,13 g/mol
Component Classification Concentration
Hydrochloric acid
CAS-No. 7647-01-0 Skin Corr. 1B; STOT SE 3; 10 - 20 %
EC-No. 231-595-7 H314, H335
Index-No. 017-002-01-X C, R34 - R37
Zirconium dichloride oxide
CAS-No. 13520-92-8 Skin Corr. 1B; H314 5 - 10 %
EC-No. 231-717-9 C, R34
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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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. 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
Material is extremely destructive to tissue of the mucous membranes and upper respiratory tract, eyes, and
skin., spasm, inflammation and edema of the larynx, spasm, inflammation and edema of the bronchi,
pneumonitis, pulmonary edema, burning sensation, Cough, wheezing, laryngitis, Shortness of breath,
Headache, Nausea
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 chloride gas, Zirconium 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
Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation.
Evacuate personnel to safe areas.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Soak up with inert absorbent material and dispose of as hazardous waste. 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 inhalation of vapour or mist.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
opened must be carefully resealed and kept upright to prevent leakage.
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
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
Tightly fitting safety goggles. Faceshield (8-inch minimum). 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 respirator
with multi-purpose combination (US) or type ABEK (EN 14387) 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: liquid
Colour: yellow
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 no data available
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
Bases, Alkali metals, Strong oxidizing agents, Metals, Amines, permanganates, e.g. potassium
permanganate, Fluorine, hexalithium disilicide
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: 3 - Group 3: Not classifiable as to its carcinogenicity to humans (Hydrochloric acid)
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. 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
Material is extremely destructive to tissue of the mucous membranes and upper respiratory tract, eyes, and
skin., spasm, inflammation and edema of the larynx, spasm, inflammation and edema of the bronchi,
pneumonitis, pulmonary edema, burning sensation, Cough, wheezing, laryngitis, Shortness of breath,
Headache, Nausea
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: 3264 IMDG: 3264 IATA: 3264
UN proper shipping name
ADR/RID: CORROSIVE LIQUID, ACIDIC, INORGANIC, N.O.S. (Hydrochloric acid, Zirconium dichloride
oxide)
IMDG: CORROSIVE LIQUID, ACIDIC, INORGANIC, N.O.S. (Hydrochloric acid, Zirconium dichloride
oxide)
IATA: Corrosive liquid, acidic, inorganic, n.o.s. (Hydrochloric acid, Zirconium dichloride oxide)
Transport hazard class(es)
ADR/RID: 8 IMDG: 8 IATA: 8
Packaging group
ADR/RID: III IMDG: III IATA: III
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
Causes severe skin burns and eye damage.
May cause respiratory irritation.
Skin Corr. Skin corrosion
STOT SE Specific target organ toxicity - single exposure
C Corrosive
R34 Causes burns.
R37 Irritating to respiratory system.
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

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

简介

氧氯化锆俗称氯锆，是一种白色针状结晶，可溶于水、甲醇和乙醇。工业上通常通过用碱在高温下烧结分解锆英砂来制取氯氧化锆，这是成熟的方法之一。

由于生产过程中会加入大量的盐酸和氢氧化钠等强腐蚀性物质，从而产生大量废水、废气和废渣。必须对其进行回收处理。

毒性

接触氧氯化锆后可能出现咳嗽、呼吸急促、眼结膜充血等症状。操作时应在通风条件下进行，防止粉尘弥漫，并避免吸入及对眼睛和皮肤的直接接触。工作时应穿戴好安全防护用品，作业结束后需彻底淋洗全身，并在必要时用大量清水冲洗眼睛。

美国最高允许浓度（按质量计）为5 mg/m³。

化学性质

氧氯化锆是一种白色丝状或针状结晶，相对密度1.91。熔点为400℃。在150℃会失去6个结晶水，在210℃则变成无水物。它能溶于水、甲醇、乙醇和醚，微溶于盐酸而不溶于其他有机溶剂。

用途

氧氯化锆主要用于制造二氧化锆的原料。此外，它还用作橡胶添加剂、涂料干燥剂、耐火材料、陶瓷及釉药处理剂等。也可作为其他锆产品的中间体，并用于制作橡胶添加剂、油漆催干剂、润滑脂添加剂、防水剂和鞣剂等。

生产方法

氧氯化锆的生产主要采用氢氧化锆盐酸法，具体步骤如下：

1. 将锆英石与烧碱熔融后进行漂洗和除硅处理。
2. 与硫酸作用，再加入氨水得到氢氧化锆沉淀。
3. 使用盐酸溶解沉淀物，制得氯氧化锆。
4. 经蒸发浓缩、冷却结晶和晶体粉碎，最终制得二氯氧化锆成品。

相关反应方程式如下：

• ZrSiO₃ + 4NaOH → Na₂ZrO₃ + Na₂SiO₃ + 2H₂O
• Na₂ZrO₃ + 3H₂SO₄ → Zr(SO₄)₂ + Na₂SO₄ + 3H₂O
• Zr(SO₄)₂ + 4NH₃·H₂O → Zr(OH)₄↓ + 2(NH₄)₂SO₄
• Zr(OH)₄ + 2HCl + 5H₂O → ZrOCl₂·8H₂O

反应信息

• 作为反应物：
  描述：

  ziconium(IV) oxychloride octahydrate 反应 20.0h， 生成 氢氧化锆
  参考文献：
  名称：

  Oxidative esterification of renewable furfural on gold-based catalysts: Which is the best support?

  摘要：

  Gold-based catalysts over different supports were investigated in the oxidative esterification of furfural by employing an efficient and sustainable process. The catalytic performances follow the trend: Zirconia Au > Ceria-Au >> Titania Au. Zirconia came out to be the best support option to promote activity, selectivity and also stability. The chemical and morphological properties observed for zirconia-supported sample seem to fulfill a good compromise between high gold dispersion and the presence of suitable acid base properties, for good selectivity. Moreover, stability and recycling of the catalysts were also investigated. (C) 2013 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jcat.2013.10.005
• 作为产物：
  描述：

  盐酸 、 zirconium(IV) carbonate 以 盐酸 为溶剂， 生成 ziconium(IV) oxychloride octahydrate
  参考文献：
  名称：

  Aqueous solution chemistry of zirconium(IV). 1. Kinetic studies on hydrogen ion and general acid (HX) induced dissociations of the tetrameric ion [Zr4(OH)8(H2O)16]8+

  摘要：

  DOI：

  10.1021/ic50217a054
• 作为试剂：
  描述：

  4-甲氧基苄醇 在 ziconium(IV) oxychloride octahydrate 、 sodium iodide 作用下， 以 乙醇 、 水 为溶剂， 反应 0.58h， 以95%的产率得到1-(碘甲基)-4-甲氧基苯
  参考文献：
  名称：

  Efficient Organic Transformations Mediated by ZrOCl₂·8H₂O in Water

  摘要：

  DOI：

  10.1080/10426507.2010.519159

文献信息

• Acetylation of alcohols and phenols under solvent-free conditions using iron zirconium phosphate
  作者：Abdol R. Hajipour、Hirbod Karimi、Amir Masti

  DOI：10.1016/s1872-2067(14)60280-1

  日期：2015.4

  Iron zirconium phosphate (ZPFe) nanoparticles were found to function as an efficient catalyst for the acetylation of a wide range of alcohols and phenols using acetic anhydride, generating good to excellent yields under solvent-free conditions. The steric and electronic properties of various substrates had a significant influence on the reaction conditions required to achieve the acetylation. The catalyst

  发现磷酸锆铁 (ZPFe) 纳米颗粒可用作使用乙酸酐乙酰化多种醇和酚的有效催化剂，在无溶剂条件下产生良好的收率。各种底物的空间和电子特性对实现乙酰化所需的反应条件有显着影响。目前研究中使用的催化剂通过电感耦合等离子体发射光谱、X 射线衍射、N2 吸附-解吸、扫描电子显微镜和透射电子显微镜进行表征。这些分析表明，当 Fe3+ 插入层间时，催化剂中的层间距从 7.5 A 增加到 9.3 A，而材料的结晶度降低。这种纳米催化剂还可以回收和重复使用至少六次，而其催化活性没有任何明显的降低。这种醇和酚乙酰化的新方法具有几个重要的优点，包括温和和环境友好的反应条件，以及良好的收率和简便的后处理。
• High catalytic activity of a bimetallic AgPd alloy supported on UiO-66 derived porous carbon for transfer hydrogenation of nitroarenes using formic acid-formate as the hydrogen source
  作者：Saisai Cheng、Ningzhao Shang、Xin Zhou、Cheng Feng、Shutao Gao、Chun Wang、Zhi Wang

  DOI：10.1039/c7nj00442g

  日期：——

  nanoparticles anchored on metal–organic framework (UiO-66) derived N-doped porous carbon (NPC-UiO-66) was fabricated and used as a catalyst for the catalytic transfer hydrogenation of nitroarenes using formic acid-formate as the hydrogen source. The results demonstrated that the Ag1Pd9@NPC-UiO-66 composite exhibited extraordinary catalytic activity toward the hydrogenation of nitroarenes to anilines

  制备了锚固在金属有机骨架（UiO-66）衍生的N掺杂多孔碳（NPC-UiO-66）上的双金属AgPd纳米颗粒，并将其用作甲酸甲酸酯作为氢源催化硝基芳烃催化加氢的催化剂。结果表明，Ag 1 Pd 9NPC-UiO-66复合材料在室温下对硝基芳烃氢化为苯胺表现出非凡的催化活性。在环境条件下，将一系列取代的硝基芳烃成功地高产率地转化为相应的苯胺，同时其他可还原基团保持完整。所制备催化剂的优异催化性能可归因于高度分散的AgPd纳米颗粒与NPC-UiO-66载体的独特结构之间的协同作用，以及该催化剂对硝基芳烃的高吸附能力。
• A concise synthesis of furo[3,2-c]coumarins catalyzed by nanocrystalline ZnZr4(PO4)6 ceramics under microwave irradiation
  作者：Javad Safaei-Ghomi、Pouria Babaei、Hossein Shahbazi-Alavi、Stephen G. Pyne、Anthony C. Willis

  DOI：10.1007/s13738-016-0859-1

  日期：2016.8

  A simple and concise method catalyzed by nanocrystalline ZnZr4(PO4)6 ceramics has been reported for the synthesis of a series of trans-2-benzoyl-3-(aryl)-2H-furo[3,2-c]chromen-4(3H)-ones using a multicomponent reaction of 2,4′-dibromoacetophenone, benzaldehydes and 4-hydroxycoumarin under microwave irradiation. This method provides several advantages including easy workup, excellent yields, short reaction

  纳米晶ZnZr 4（PO 4）6陶瓷催化的一种简单简便的方法已被报道用于合成一系列反式-2-苯甲酰基-3-（芳基）-2 H-呋喃[3,2-c]铬-4（3H）-在微波辐射下使用2,4'-二溴苯乙酮，苯甲醛和4-羟基香豆素的多组分反应。该方法具有许多优点，包括易于后处理，优异的产率，较短的反应时间，使用微波作为清洁方法，催化剂的可回收性和催化剂负载量小。
• STRONGLY LEWIS ACIDIC METAL-ORGANIC FRAMEWORKS FOR CONTINUOUS FLOW CATALYSIS
  申请人：The University of Chicago

  公开号：US20210053042A1

  公开（公告）日：2021-02-25

  Lewis acidic metal-organic framework (MOF) materials comprising triflate-coordinated metal nodes are described. The materials can be used as heterogenous catalysts in a wide range of organic group transformations, including Diels-Alder reactions, epoxide-ring opening reactions, Friedel-Crafts acylation reactions and alkene hydroalkoxylation reactions. The MOFs can also be prepared with metallated organic bridging ligands to provide heterogenous catalysts for tandem reactions and/or prepared as composites with support particles for use in columns of continuous flow reactor systems. Methods of preparing and using the MOF materials and their composites are also described.

  描述了包含三氟甲磺酸盐配位金属节点的Lewis酸性金属有机框架（MOF）材料。这些材料可用作广泛范围的有机基团转化中的杂质催化剂，包括Diels-Alder反应、环氧化物开环反应、Friedel-Crafts酰化反应和烯烃水解烷氧基化反应。这些MOF还可以通过金属化有机桥联配体制备，以提供串联反应的杂质催化剂和/或与支撑颗粒制备为复合材料，用于连续流反应器系统的柱中。还描述了制备和使用MOF材料及其复合材料的方法。
• A porous inorganic zirconyl pyrophosphate as an efficient catalyst for the catalytic transfer hydrogenation of ethyl levulinate to γ-valerolactone
  作者：Jianjia Wang、Ruiying Wang、Huimin Zi、Haijun Wang、Yongmei Xia、Xiang Liu

  DOI：10.1002/jccs.201800073

  日期：2018.11

  Catalytic transfer hydrogenation (CTH) of ethyl levulinate (EL) to γ‐valerolactone (GVL) is an alluring reaction in the field of biomass catalytic conversion, but it normally depends on the consumption of H2. In this study, we report a porous Zr‐containing inorganic pyrophosphate catalyst (ZrOPP), which was used as a catalyst for CTH of EL to GVL in the presence of isopropanol and characterized using

  乙酰丙酸乙酯（EL）催化转化加氢（CTH）到γ-戊内酯（GVL）是生物质催化转化领域中的诱人反应，但通常取决于H 2的消耗量。在这项研究中，我们报告了一种含Zr的多孔无机焦磷酸盐催化剂（ZrOPP），该催化剂在异丙醇存在下用作EL转化为GVL的CTH的催化剂，并使用FT-IR，py-FTIR，TGA，XRD， BET，XPS，ICP‐AES，SEM，TEM，NH 3‐ TPD和CO 2-TPD。我们在433 K的条件下连续11个小时获得了94％GVL的高收率。此外，ZrOPP具有易于分离的特点，可以重复使用五次以上，而活性和选择性却没有明显降低。此外，该催化剂还可用于其他催化加氢反应，例如环己酮，苯乙酮，2-庚酮等。其出色的性能主要归因于Zr元素的酸性位和散布在磷酸根上的磷酸根的碱性位。催化剂的表面。