13716-12-6

• 常用中文名：三叔丁基膦
• 常用英文名：Tri-tert-butylphosphine
• CAS号：13716-12-6
• 分子式：C₁₂H₂₇P
• 分子量：202.316
• 相关类别： 有机原料 有机膦化合物
• 发布时间：2018-02-04 08:00:00
• 更新时间：2024-01-01 19:34:50
• 
  【用途一】
  胺化反应的催化剂配体.

名称

• 中文名: 三叔丁基膦
• 英文名: Tri-tert-butylphosphine
• 中文别名: 三特丁基膦
• 英文别名: EINECS 237-266-4; tritert-butylphosphane; P(t-Bu)3 P(t-Bu)3; MFCD00015006; Tri-t-Butylphosphine

物化性质

• 密度: 0.861 g/mL at 25 °C
• 沸点: 229.4±9.0 °C at 760 mmHg
• 熔点: 30-35 °C(lit.)
• 分子式: C₁₂H₂₇P
• 分子量: 202.316
• 闪点: 94.6±25.0 °C
• 精确质量: 202.185043
• PSA: 13.59000
• LogP: 4.50
• 外观性状: 透明液体(在10%己烷)
• 蒸汽压: 0.1±0.4 mmHg at 25°C
• 储存条件:

  在低温下隔绝空气保存。

• 稳定性:

  对空气非常敏感，必须在低温下隔绝空气保存。对它的操作必须在手套箱或惰性气体保护下进行。

• 水溶解性: insoluble
• 分子结构:

  1、摩尔折射率：无可用的

  2、摩尔体积（cm³/mol）：无可用的

  3、等张比容（90.2K）：无可用的

  4、表面张力（dyne/cm）：无可用的

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：无可用的

  7、单一同位素质量：202.185037 Da

  8、标称质量：202 Da

  9、平均质量：202.3165 Da

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.9

  2.氢键供体数量:0

  3.氢键受体数量:0

  4.可旋转化学键数量:3

  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:13

  8.表面电荷:0

  9.复杂度:128

  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:1

• 更多:

  1. 性状：无色刺激性气味

  2. 密度（g/mL,25/4℃）：0.83-0.84

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：30

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,5.2kPa）：102-103

  7. 折射率：未确定

  8. 闪点（ºC）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：-16

  11. 蒸气压（kPa,25ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：未确定

  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：不能拌和或难以拌和的。

MSDS

Name: Tri-tert-butylphosphine 95% Material Safety Data Sheet Synonym: CAS: 13716-12-6 Section 1 - Chemical Product MSDS Name:Tri-tert-butylphosphine 95% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 13716-12-6 Tri-tert-butylphosphine 95% 237-266-4 Hazard Symbols: F C Risk Phrases: 17 34 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Spontaneously flammable in air. Causes burns.Air sensitive. Potential Health Effects Eye: Causes eye burns. Lachrymator (substance which increases the flow of tears). Skin: Causes skin burns. Ingestion: Causes gastrointestinal tract burns. Inhalation: Causes chemical burns to the respiratory tract. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Skin: Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Do not induce vomiting. If victim is conscious and alert, give 2-4 cupfuls of milk or water. Get medical aid immediately. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Material can spontaneously ignite (pyrophoric) when exposed to air at normal or slightly elevated temperatures. Extinguishing Media: Use foam, dry chemical, or carbon dioxide. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Remove all sources of ignition. Use a spark-proof tool. Section 7 - HANDLING and STORAGE Handling: Use spark-proof tools and explosion proof equipment. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood. Store and handle protected from air. Storage: Store in a cool, dry place. Store in a tightly closed container. Flammables-area. Do not expose to air. Store under an inert atmosphere. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 13716-12-6: Personal Protective Equipment Eyes: Not available. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: colorless Odor: unpleasant odor pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 102 - 103 deg C @ 13.00mm Hg Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: -17 deg C ( 1.40 deg F) Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Insoluble. Specific Gravity/Density: .8200g/cm3 Molecular Formula: C12H27P Molecular Weight: 202.32 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials, ignition sources, exposure to air. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Carbon monoxide, oxides of phosphorus, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 13716-12-6 unlisted. LD50/LC50: Not available. Carcinogenicity: Tri-tert-butylphosphine - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Shipping Name: PYROPHORIC LIQUID, ORGANIC, N.O.S.* Hazard Class: 4.2 UN Number: 2845 Packing Group: I IMO Shipping Name: PYROPHORIC LIQUID, ORGANIC, N.O.S. Hazard Class: 4.2 UN Number: 2845 Packing Group: I RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: F C Risk Phrases: R 17 Spontaneously flammable in air. R 34 Causes burns. Safety Phrases: S 25 Avoid contact with eyes. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 13716-12-6: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 13716-12-6 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 13716-12-6 is not listed on the TSCA inventory. It is for research and development use only. 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

• 符号: GHS02, GHS05, GHS07, GHS08
• 信号词: Danger
• 危害声明: H225-H250-H304-H314-H336-H361d-H373
• 警示性声明: P210-P280-P301 + P310-P302 + P334-P303 + P361 + P353-P304 + P340 + P310-P305 + P351 + P338-P331-P422
• 个人防护装备: Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
• 危害码 (欧洲): F:Flammable;C:Corrosive;
• 风险声明 (欧洲): R17;R34
• 安全声明 (欧洲): S26-S45-S62-S36/37/39-S25-S43-S27-S16
• 危险品运输编码: UN 2846 4.2/PG 1
• WGK德国: 3
• 包装等级: I
• 危险类别: 4.2
• 海关编码: 2931900090

合成路线

制备

通过叔丁基氯化镁与三氯化磷在乙醚中反应，然后用叔丁基锂处理制备而来 (式1)。

海关

海关编码	2931900090
中文概述	2931900090. 其他有机-无机化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:6.5%. 普通关税:30.0%
Summary	2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%