2081-12-1

• 常用中文名：叔丁醇锆(IV)
• 常用英文名：zirconium tert-butoxide
• CAS号：2081-12-1
• 分子式：C₁₆H₃₆O₄Zr
• 分子量：383.679
• 相关类别： 有机原料 有机金属类化合物 有机锆
• 发布时间：2018-08-15 02:56:03
• 更新时间：2024-01-08 15:03:27
• 叔丁醇锆(IV)可用于合成手性N-叔丁烷亚磺酰基三氟甲基酮亚胺。

名称

• 中文名: 叔丁醇锆
• 英文名: zirconium(iv) tert-butoxide
• 中文别名: 四叔丁氧化锆
• 英文别名: Zirconium(4+) tetrakis(2-methyl-2-propanolate); ZIRKONIUM(IV) TERT-BUTOXIDE; Zirconium tert-butanolate; Tetra-tert-butoxyzirconium,Tetra-tert-butyl zirconate,ZTB; ZIRKON(IV)-TERT-BUTOXID; zirconium tetra(tert-butoxide); MFCD00075085; ZIRCONIUM TETRA-T-BUTOXIDE; ZIRCONIUM T-BUTOXIDE; zirconium tetrabutoxide; ZIRCONIUM(IV)T-BUTOXIDE; zirconium tert-butoxide; Tetra-tert-butoxyzirconium; Zr(tert-butoxide)4; Zirconium(4+) tetrakis(2-methylpropan-2-olate); TETRA-TERT-BUTYL ZIRCONATE; 2-Propanol, 2-methyl-, zirconium(4+) salt (4:1)

物化性质

• 密度: 0.985 g/mL at 25 °C(lit.)
• 沸点: 81 °C3 mm Hg(lit.)
• 熔点: 3°C
• 分子式: C₁₆H₃₆O₄Zr
• 分子量: 383.679
• 闪点: 185 °F
• 精确质量: 382.166077
• PSA: 36.92000
• LogP: 5.06320
• 外观性状: 无色或黄色冒烟的透明液体
• 折射率: n20/D 1.424(lit.)
• 储存条件:

  储存的地方必须远离氧化剂，将容器密封，储存密封的储藏器内，并放在阴凉，干爽的地方

• 稳定性:

  避免与氧化物接触，危险分解产品为一氧化碳和二氧化碳

• 分子结构:

  1. 密度（g/mL ,25℃）：0.985

  2. 折射率（nD20）：1.424

  3. 闪点（°F）：185

  4. 储存（ºC）：2-8

  5. 沸点（ºC,3mmHg）：81

• 更多:

  1. 性状：气味类似酒精的黄色液体

  2. 密度（g/mL,20 ºC）：0.96

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,3mm Hg ）：81

  7. 折射率：1.424

  8. 闪点（ºC）：185

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（kPa,25ºC）：未确定

  12. 饱和蒸气压（kPa,20ºC）： 6.65hPa

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：未确定

MSDS

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 IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL) Title Compound2081-12-1100%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 andIf 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

毒性和生态

毒理学数据: 主要的刺激性影响： 在皮肤上面:刺激皮肤和粘膜 在眼睛上面: 刺激的影响 致敏作用：没有已知的敏化作用 生态学数据: 对水是稍微有害的，不要让未稀释或大量的产品接触地下水，水道或者污水系统，若无政府许可，勿将材料排入周围环境

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H315-H319-H335
• 警示性声明: P261-P305 + P351 + P338
• 个人防护装备: Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36
• 危险品运输编码: 1993
• WGK德国: 3
• 包装等级: III
• 危险类别: 3
• 海关编码: 2909199090

海关

海关编码	2909199090
中文概述	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%