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四叔丁醇锆(IV) | 2081-12-1

四叔丁醇锆(IV)
Zirconium(IV) tert-butoxide
2081-12-1
C4H10O.Zr
165.3456
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:四叔丁醇锆(IV)结构式
四叔丁醇锆(IV)MOL
329766792
名称和标识符
MDL MFCD00075085
InChIKey BGGIUGXMWNKMCP-UHFFFAOYSA-N
Inchi InChI=1S/4C4H9O.Zr/c4*1-4(2,3)5;/h4*1-3H3;/q4*-1;+4
SMILES CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[Zr+4]
别名信息
- 中文别名 -
  • 四叔丁醇锆(IV)
  • 叔丁醇锆
  • 四叔丁醇锆
  • 四叔丁氧基锆
  • 四叔丁氧化锆
- 英文别名 -
  • Zirconium(IV) tert-butoxide
  • ZIRCONIUM t-BUTOXIDE
  • Zirconium(IV) t-Butoxide
  • Tetra-tert-butoxyzirconium
  • Tetra-tert-butoxyzirconium,Tetra-tert-butyl zirconate,ZTB
  • TETRA-TERT-BUTYL ZIRCONATE
  • Zirconium tert-butanolate
  • ZIRCONIUM TERT-BUTOXIDE
  • zirconium tetrabutoxide
  • ZIRCONIUM TETRA-T-BUTOXIDE
  • ZIRKON(IV)-TERT-BUTOXID
  • ZIRKONIUM(IV) TERT-BUTOXIDE
  • Zr(tert-butoxide)4
  • ZTB
  • Tetrakis(tert-butanolato)zirconium
  • Tetrakis(tert-butoxy)zirconium
  • Zirconium tetra-tert-butoxide
  • Zirconium tetrakis(tert-butoxide)
  • Zirconium(4+) tert-butoxide
  • Zirconium(IV) tert-butanolate
  • tert-Butanol zirconium(4+) salt
  • SCHEMBL108395
  • SCHEMBL108395
  • SCHEMBL108395
  • Zirconium(IV) tert-butoxide, packaged for use in deposition systems
  • Zirconium(IV) tert-butoxide, packaged for use in deposition systems
  • Zirconium(IV) tert-butoxide, packaged for use in deposition systems
  • Zirconium(IV) tert-butoxide, electronic grade, 99.999% trace metals basis
  • Zirconium(IV) tert-butoxide, electronic grade, 99.999% trace metals basis
  • Zirconium(IV) tert-butoxide, electronic grade, 99.999% trace metals basis
  • Zirconium(IV)t-butoxide
  • Zirconium(IV)t-butoxide
  • Zirconium(IV)t-butoxide
  • zirconium t-butoxide
  • zirconium t-butoxide
  • zirconium t-butoxide
  • 2-methylpropan-2-ol
  • zirconium
  • 2-methylpropan-2-ol
  • zirconium
  • 2-methylpropan-2-ol
  • zirconium
  • Zirconium(IV) t-butoxide (99.99%-Zr)
  • Zirconium(IV) t-butoxide (99.99%-Zr)
  • Zirconium(IV) t-butoxide (99.99%-Zr)
  • MFCD00075085
  • MFCD00075085
  • MFCD00075085
  • zirconium(iv) t-butoxide
  • zirconium(iv) t-butoxide
  • zirconium(iv) t-butoxide
  • CS-0111459
  • CS-0111459
  • CS-0111459
  • F87227
  • F87227
  • F87227
  • 2081-12-1
  • 2081-12-1
  • 2081-12-1
物化性质
实验特性
LogP 5.06320
PSA 36.92000
折射率 n20/D 1.424(lit.)
水溶性 Decomposes in water.
沸点 81 °C/3 mmHg(lit.)
熔点 3°C
蒸气压 Not available
闪点 华氏:183.2 °F
摄氏:84 °C
颜色与性状 气味类似酒精的黄色液体
溶解性 未确定
敏感性 Moisture Sensitive
密度 0.985 g/mL at 25 °C(lit.)
计算特性
精确分子量 382.16600
氢键供体数量 0
氢键受体数量 4
可旋转化学键数量 0
同位素质量 386.197
重原子数量 21
复杂度 25.1
同位素原子数量 0
确定原子立构中心数量 0
不确定原子立构中心数量 0
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 5
拓扑分子极性表面积 80.9A^2
国际标准相关数据
EINECS
海关数据
海关编码 2909199090
海关数据

中国海关编码:

2909199090

概述:

2909199090. 其他无环醚及其卤化衍生物(包括磺化,硝化或亚硝化衍生物). 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

2909199090. other acyclic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

相关文献
专业数据库参考
PubChemId 329766792
参考资料
Reaxys RN
Beilstein 3681870
四叔丁醇锆(IV) MSDS
基础信息

Section 1: Product Identification
   Chemical Name:       Zirconium (IV) t-butoxide, 99%    
   CAS Registry Number:       2081-12-1    
   Formula:       Zr(OC4H9)4    
   EINECS Number:
   Chemical Family:       metal alkoxide    
   Synonym:       zirconium t-butylate; t-butanol, zirconium salt.    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       2081-12-1       100%       5mg/m3 (as Zr)       5mg/m3 (as Zr)    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to the respiratory tract, skin and eyes. May be harmful if swallowed.    
   Primary Routes of Exposure:       Inhalation, ingestion, contact with skin and eyes.    
   Eye Contact:       Causes slight to mild irritation of the eyes    
   Skin Contact:       Causes slight to mild irritation of the skin.    
   Inhalation:       Irritating to skin, eyes and respiratory tract.    
   Ingestion:       Ingestion may cause gastrointestinal distress, nausea, vomiting and headache.    
   Acute Health Affects:       Irritating to skin, eyes and respiratory tract.    
   No data is available for this product. In animal studies, t-butanol in high doses has acted as a reproductive
   Chronic Health Affects:
   effector.
   NTP:       No    
   IARC:       No    
   OSHA:       No    

SECTION 4: First Aid Measures
   Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
   Eye Exposure:
   assistance in keeping their eye lids open. Get immediate medical attention.
   Wash the affected area with soap and water. Remove contaminated clothes if necessary. Seek medical
   Skin Exposure:
   assistance if irritation persists.
   Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
   Inhalation:
   in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
   Ingestion:       Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious).    

SECTION 5: Fire Fighting Measures
   Flash Point:       185 °F    
   Autoignition Temperature:       no data    
   Explosion Limits:       no data    
   Extinguishing Medium:       carbon dioxide, dry powder or foam    
   If involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure self-contained
   Special Fire Fighting Procedures:
   breathing apparatus and full protective clothing.
   Hazardous Combustion and       If involved in a fire this material may emit toxic organic fumes and zirconia dust.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: Combustible. No unusual fire or explosion hazards.

SECTION 6: Accidental Release Measures
   Avoid contact with water. Small spills may be adsorbed into diatomaceous earth, sand, or other suitable
   Spill and Leak Procedures:
   adsorbent, and swept up.

SECTION 7: Handling and Storage
   Store in a tightly sealed container in a dry place. If container is left open, product may adsorb moisture from
   Handling and Storage:
   the atmosphere and release t-butanol vapor.

SECTION 8: Exposure Controls and Personal Protection
   Eye Protection:       Always wear approved safety glasses when handling a chemical substance in the laboratory.    
   Skin Protection:       Wear protective clothing and gloves.    
   Ventilation:       Material may form a vapor upon exposure to air. if possible, handle the material in an efficient fume hood.    
   If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
   Respirator:
   Protection Program to be in compliance with 29 CFR 1910.134.
   Ventilation:       Material may form a vapor upon exposure to air. if possible, handle the material in an efficient fume hood.    
   Additional Protection:       No additional protection required.    

SECTION 9: Physical and Chemical Properties
   Color and Form:       slightly yellow liq.    
   Molecular Weight:       383.68    
   Melting Point:       no data    
   Boiling Point:       90°C /5 mm    
   Vapor Pressure:       no data    
   Specific Gravity:       0.96    
   Odor:       sweet odor    
   Solubility in Water:       reacts with water    

SECTION 10: Stability and Reactivity
   Stability:       moisture sensitive liquid, (store cold)    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       contact with moisture    
   Incompatibility:       halogens    
   Decomposition Products:       Carbon dioxide, carbon monoxide, organic vapors, and metal oxides and carbonates.    

SECTION 11: Toxicological Information
   No information available in the RTECS files. t-butanol, hydrolysis product: skin (rbt) Draize: 500 ul/24h mild;
   RTECS Data:       eye (rbt) Draize 100 ul/24h: severe; oral (rat) LD50: 2743 mg/kg; inhalation (rat) LC50: >10000 ppm/4h;    
   Intraperitoneal (mouse) LD50: 399 mg/kg. oral (rbt) LD50: 3559 mg/kg; inhalation (rat) TCLo (reprod): 2000.
   Carcinogenic Effects:       No data available    
   Mutagenic Effects:       No data available    
   Tetratogenic Effects:       No data available    

SECTION 12: Ecological Information
   Ecological Information:       No information available    

SECTION 13: Disposal Considerations
   Disposal:       Dispose of according to local, state and federal regulations.    

SECTION 14: Transportation
   Shipping Name (CFR):       Non-hazardous    
   Hazard Class (CFR):       NA    
   Additional Hazard Class (CFR):       NA    
   Packaging Group (CFR):       NA    
   UN ID Number (CFR):       NA    
   Shipping Name (IATA):       Non-hazardous    
   Hazard Class (IATA):       NA    
   Additional Hazard Class (IATA):       NA    
   Packaging Group (IATA):       NA    
   UN ID Number (IATA):       NA    

SECTION 15: Regulatory Information
   TSCA:       Not listed in the TSCA inventory.    
   SARA (Title 313):       Title compound not listed.    
   Second Ingredient:       none    


SECTION 16 - ADDITIONAL INFORMATION
N/A
化合物详情(旧版)

SMILES

[Zr].CC(C)(C)O

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