4023-53-4

• 常用中文名：三(2-氰乙基)膦
• 常用英文名：TRIS(2-CYANOETHYL)PHOSPHINE
• CAS号：4023-53-4
• 分子式：C₉H₁₂N₃P
• 分子量：193.18500
• 相关类别： 有机原料 有机膦化合物
• 发布时间：2018-03-31 08:00:00
• 更新时间：2024-01-02 15:54:20
• Tris(2-cyanoethyl)phosphine 是一种蛋白质交联剂。Tris(2-cyanoethyl)phosphine 可用于合成具有抗肿瘤活性的铜 (I) 配合物。

名称

• 中文名: 三(2-氰乙基)膦
• 英文名: tris(2-cyanoethyl)phosphine
• 英文别名: Tris-(2-cyanoethyl)phophine; MFCD00013828; Tris(2-cyanoethyl)phosphine; 3,3',3''-Phosphinetriyltripropanenitrile; EINECS 223-687-0; AURORA KA-1114

物化性质

• 沸点: 235°C 0,9mm
• 熔点: 97-98°C
• 分子式: C₉H₁₂N₃P
• 分子量: 193.18500
• 闪点: 235°C/0.9mm
• 精确质量: 193.07700
• PSA: 84.96000
• LogP: 2.20934
• 外观性状: 白色结晶
• 蒸汽压: 1.71E-07mmHg at 25°C
• 储存条件:

  避光，通风干燥处，密封保存

• 稳定性:

  常温常压下稳定

• 计算化学:

  1.疏水参数计算参考值（XlogP）:-1

  2.氢键供体数量:0

  3.氢键受体数量:3

  4.可旋转化学键数量:6

  5.互变异构体数量:无

  6.拓扑分子极性表面积71.4

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:223

  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

生物活性

• 描述: Tris(2-cyanoethyl)phosphine 是一种蛋白质交联剂。Tris(2-cyanoethyl)phosphine 可用于合成具有抗肿瘤活性的铜 (I) 配合物。
• 相关类别:
  研究领域 >> 其他
• 参考文献:

  [1]. Zanella A, et, al. Cytotoxicity in human cancer cells and mitochondrial dysfunction induced by a series of new copper(I) complexes containing tris(2-cyanoethyl)phosphines. Invest New Drugs. 2011 Dec;29(6):1213-23.

MSDS

Name: TRIS-(2-CYANOETHYL)PHOSPHINE Material Safety Data Sheet Synonym: CAS: 4023-53-4 Section 1 - Chemical Product MSDS Name:TRIS-(2-CYANOETHYL)PHOSPHINE Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 4023-53-4 TRIS-(2-CYANOETHYL)PHOSPHINE 223-687-0 Hazard Symbols: None Listed. Risk Phrases: None Listed. Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Not available. Potential Health Effects The toxicological properties of this material have not been investigated. Use appropriate procedures to prevent opportunities for direct contact with the skin or eyes and to prevent inhalation. Section 4 - FIRST AID MEASURES Eyes: Not available. Skin: Not available. Ingestion: Not available. Inhalation: Not available. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: Not available. Extinguishing Media: Not available. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Not available. Section 7 - HANDLING and STORAGE Handling: Not available. Storage: Not available. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Exposure Limits CAS# 4023-53-4: Personal Protective Equipment Eyes: Not available. Skin: Not available. Clothing: Not available. Respirators: Not available. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Not available. Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: Not available. Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Specific Gravity/Density: Molecular Formula: Molecular Weight: Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Not available. Incompatibilities with Other Materials: Not available. Hazardous Decomposition Products: Not available. Hazardous Polymerization: Not available. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 4023-53-4 unlisted. LD50/LC50: Not available. Carcinogenicity: TRIS-(2-CYANOETHYL)PHOSPHINE - 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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: Not available. Risk Phrases: Safety Phrases: S 24/25 Avoid contact with skin and eyes. WGK (Water Danger/Protection) CAS# 4023-53-4: No information available. Canada CAS# 4023-53-4 is listed on Canada's NDSL List. CAS# 4023-53-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 4023-53-4 is listed on the TSCA inventory. 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

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): S36/37/39-S45
• 危险品运输编码: UN3464
• 包装等级: II
• 危险类别: 6.1
• 海关编码: 2926909090

合成路线

107-13-1 ~% 4023-53-4

文献：Henderson,W.A.; Buckler,S.A. Journal of the American Chemical Society, 1960 , vol. 82, p. 5794 - 5800

107-13-1 ~44% 4023-49-8 4023-53-4 1439-41-4

文献：Semenzin, Delphine; Etemad-Moghadam, Guita; Albouy, Dominique; Koenig, Max Tetrahedron Letters, 1994 , vol. 35, # 20 p. 3297 - 3300

4023-49-8 107-13-1 ~% 4023-53-4

文献：Costa, Emiliana; Pringle, Paul G.; Smith, Martin B.; Worboys, Kerry Journal of the Chemical Society - Dalton Transactions, 1997 , # 22 p. 4277 - 4282

107-13-1 ~% 4023-49-8 4023-53-4 6783-71-7

文献：Costa, Emiliana; Pringle, Paul G.; Smith, Martin B.; Worboys, Kerry Journal of the Chemical Society - Dalton Transactions, 1997 , # 22 p. 4277 - 4282

107-13-1 75-05-8 ~% 4023-49-8 4023-53-4 详细

文献：Rauhut et al. Journal of the American Chemical Society, 1959 , vol. 81, p. 1103,1107

海关

海关编码	2926909090
中文概述	2926909090 其他腈基化合物. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%