31406-67-4

• 常用中文名：四苄基铪
• 常用英文名：hafnium(4+),methanidylbenzene
• CAS号：31406-67-4
• 分子式：C₂₈H₂₈Hf
• 分子量：543.01200
• 发布时间：2018-03-23 08:00:00
• 更新时间：2024-01-18 20:20:03

名称

• 中文名: 四苄基铪
• 英文名: hafnium(4+),methanidylbenzene
• 英文别名: halfnium tetrabenzyl; Hafnium,tetrakis(phenylmethyl)-,(T-4); hafnium tetrabenzyl; tetra(benzyl)hafnium; Hafnium,tetrabenzyl-(8CI)

物化性质

• 熔点: 99-104ºC(lit.)
• 分子式: C₂₈H₂₈Hf
• 分子量: 543.01200
• 精确质量: 544.16600
• LogP: 8.00920
• 储存条件:

  密闭于5 ºC阴凉干燥环境中

• 稳定性:

  遵照规定使用和储存则不会分解。

• 分子结构:

  1、摩尔折射率：无可用

  2、 摩尔体积（cm³/mol）：无可用

  3、 等张比容（90.2K）：无可用

  4、 表面张力（dyne/cm）：无可用

  5、 极化率：无可用

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:4

  4.可旋转化学键数量:0

  5.互变异构体数量:无

  6.拓扑分子极性表面积0

  7.重原子数量:29

  8.表面电荷:0

  9.复杂度:238

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:5

• 更多:

  1. 性状：无可用

  2. 密度（g/mL,25/4℃）：无可用

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：99-104

  5. 沸点（ºC,常压）：无可用

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：无可用

  8. 闪点（ºC）：无可用

  9. 比旋光度（º）：无可用

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：无可用

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）：无可用

  19. 溶解性：无可用

MSDS

Section 1: Product Identification Chemical Name:Tetrabenzylhafnium, min. 97% CAS Registry Number:31406-67-4 Formula:C28H28Hf EINECS Number:none Chemical Family:organometallic complex Synonym:none Section 2: Composition and Information on Ingredients IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL) Title compound31406-67-4100%0.5mg/m3 (as Hf)0.5mg/m3 (as Hf) Section 3: Hazards Identification Emergency Overview:May be irritating to skin, eyes and respiratory tract. May be harmful if swallowed. Primary Routes of Exposure:Ingestion, inhalation Eye Contact:May cause slight to mild irritation of the eyes. Skin Contact:May cause slight to mild irritation of the skin. Inhalation:May be irritating to the nose, mucous membranes and respiratory tract. Ingestion:No information is available on the physiological effects of ingestion. Acute Health Affects:May be irritating to skin, eyes, mucous membranes, and respiratory tract. Chronic Health Affects:No information available on long-term chronic effects. 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 water. Remove contaminated clothes if necessary. Seek medical assistance if Skin Exposure: 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. Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce Ingestion: vomiting only if directed by medical personnel. SECTION 5: Fire Fighting Measures Flash Point:none Autoignition Temperature:none Explosion Limits:none Extinguishing Medium:carbon dioxide, dry powder or foam Fire fighters should be equipped with a NIOSH approved positive pressure self-contained breathing apparatus Special Fire Fighting Procedures: and full protective clothing. Hazardous Combustion andIf involved in a fire this material may emit toxic fumes of carbon monoxide, and hafnium oxide. Decomposion Products: Unusual Fire or Explosion Hazards: Flammable solid. Evolves flammable tetramethylcyclopentadiene with water. SECTION 6: Accidental Release Measures Keep away from sources of ignition. Small spills can be mixed with vermiculite, sodium carbonate or other Spill and Leak Procedures: suitable noncombustible adsorbent and swept up. Do not raise dust. SECTION 7: Handling and Storage Store the material under an inert atmosphere of nitrogen or argon in a tightly sealed container. Store cold to Handling and Storage: maximize shelf life. 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. Consult with glove manufacturer to determine the proper type of glove. Ventilation:Handle the material under an inert atmosphere of nitrogen or argon. 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:Handle the material under an inert atmosphere of nitrogen or argon. Additional Protection:No additional protection required. SECTION 9: Physical and Chemical Properties Color and Form:yellow pwdr. Molecular Weight:543.01 Melting Point:no data Boiling Point:no data Vapor Pressure:no data Specific Gravity:no data Odor:not determined Solubility in Water:insoluble SECTION 10: Stability and Reactivity Stability:air, moisture and heat sensitive (store cold) Hazardous Polymerization:no hazardous polymerization Conditions to Avoid:heat and ignition sources, air, and moisture Incompatibility:strong oxidizing agents, mineral acids and halogens. Decomposition Products:hafnium oxide, carbon monoxide, carbon dioxide and organic fumes. SECTION 11: Toxicological Information RTECS Data:No information available in the RTECS files. Carcinogenic Effects:no data Mutagenic Effects:no data Tetratogenic Effects:no data SECTION 12: Ecological Information Ecological Information:No information available SECTION 13: Disposal Considerations Disposal:Dispose of according to federal, state, and local regulations. SECTION 14: Transportation Shipping Name (CFR):Flammable solids, Inorganic, N.O.S. Hazard Class (CFR):4.1 Additional Hazard Class (CFR):NA Packaging Group (CFR):II UN ID Number (CFR):UN# 3178 Shipping Name (IATA):Flammable solid, Inorganic, N.O.S. Hazard Class (IATA):4.1 Additional Hazard Class (IATA):NA Packaging Group (IATA):II UN ID Number (IATA):UN# 3178 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

生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境。

安全

• 风险声明 (欧洲): 10
• 安全声明 (欧洲): 15-16-36
• 危险品运输编码: UN 3178
• 海关编码: 2902909090

合成路线

13499-05-3 6921-34-2 ~61% 31406-67-4

文献：Gmelin Handbook: Hf: Org.Verb., 1.1, page 1 - 2

1589-82-8 13499-05-3 ~67% 31406-67-4

文献：Univation Technologies, LLC Patent: US7067686 B1, 2006 ; Location in patent: Page/Page column 9-10; 11 ;

海关

海关编码	2902909090
中文概述	2902909090. 其他芳香烃. 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:2.0%. 普通关税:30.0%
申报要素	品名, 成分含量
Summary	2902909090 other aromatic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%