1496-94-2

• 常用中文名：三-N-丙基磷化氢氧化物
• 常用英文名：Tri-n-propylphosphine oxide
• CAS号：1496-94-2
• 分子式：C₉H₂₁OP
• 分子量：176.23600
• 发布时间：2018-06-12 07:54:15
• 更新时间：2024-01-08 10:59:06

名称

• 中文名: 三正丙基磷化氢氧化物
• 英文名: 1-dipropylphosphorylpropane
• 中文别名: 三-N-丙基磷化氢氧化物
• 英文别名: tri-n-propyl phosphine oxide; Phosphine oxide,tripropyl; tripropylphosphane oxide; tripropyl-phosphine oxide; tripropylphosphinoxide

物化性质

• 密度: 0.875 g/cm3
• 沸点: 293.6ºC at 760 mmHg
• 熔点: 39ºC
• 分子式: C₉H₂₁OP
• 分子量: 176.23600
• 闪点: 131.3ºC
• 精确质量: 176.13300
• PSA: 26.88000
• LogP: 3.57950
• 外观性状: 白色晶体
• 蒸汽压: 0.003mmHg at 25°C
• 折射率: 1.417
• 储存条件:

  保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置

• 稳定性:

  如果遵照规格使用和储存则不会分解，未有已知危险反应，避免氧化物

• 分子结构:

  1、 摩尔折射率：50.61

  2、 摩尔体积（m³/mol）：201.2

  3、 等张比容（90.2K）：462.3

  4、 表面张力（dyne/cm）: 27.8

  5、 介电常数：无可用

  6、 偶极距（10 ^-24cm ³）：无可用

  7、 极化率：20.06

• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.1

  2.氢键供体数量:0

  3.氢键受体数量:1

  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17.1

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:108

  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：未确定。

  2. 密度（g/mL,25/4℃）： 未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：39

  5. 沸点（ºC,常压）：280-282

  6. 沸点（ºC,5.2kPa）： 未确定

  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）： 未确定

  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：未确定

MSDS

Section 1: Product Identification Chemical Name:Tri-n-propylphosphine oxide, min. 98% CAS Registry Number:1496-94-2 Formula:(n-C3H7)3PO EINECS Number:none Chemical Family:organophosphorus compound Synonym:Tri-n-propylphosphine oxide Section 2: Composition and Information on Ingredients IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL) Title Compound1496-94-2100%no datano data Section 3: Hazards Identification Harmful in contact with skin and if swallowed. The material is irritating to skin, eyes, and mucous membranes. Emergency Overview: Primary Routes of Exposure:Ingestion, eyes, inhalation Eye Contact:Causes moderate irritation of the eyes Skin Contact:Causes moderate irritation of the skin. Harmful in contact with skin. Inhalation:The dust is irritating to the nose, mucous membranes and respiratory tract. Ingestion:Harmful if swallowed. May cause vomiting and diarrhea. Acute Health Affects:Harmful in contact with skin and if swallowed. Irritating to skin, eyes 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:not applicable 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 andIn a fire may emit toxic organic fumes, carbon monoxide, carbon dioxide, and phosphorous pentoxide. Decomposion Products: Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards. SECTION 6: Accidental Release Measures Spill and Leak Procedures:Small spills can be mixed with vermiculite or sodium carbonate and swept up. SECTION 7: Handling and Storage Handling and Storage:Store in a tightly sealed container. Keep away from heat and direct sunlight. 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:Material may form a fine dust. 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 fine dust. 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:white xtl. Molecular Weight:176.24 Melting Point:39° Boiling Point:280-282°C Vapor Pressure:no data Specific Gravity:no data Odor:sweetish odor Solubility in Water:slightly soluble SECTION 10: Stability and Reactivity Stability:moisture sensitive Hazardous Polymerization:no hazardous polymerization Conditions to Avoid:contact with strong oxidizing agents Incompatibility:oxidizing agents and halogens Decomposition Products:carbon dioxide, carbon monoxide, organic fumes, and phosphorus oxides. SECTION 11: Toxicological Information Administration onto the skin (rabbit); Standard Draize test: 10 uL/24H. Adminstration into the eye (rabbit); RTECS Data:Standard Draize test: 5 uL. Oral (rat); LD50: 1410 mg/kg. Oral (mouse) LD50: 1360 mg/kg. Administration onto the skin (rabbit); LD50: 1130 mg/kg. Oral (rat); TDLo: 9300 mg/kg/30D-I. 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 federal, state, and local 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: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: 急性毒性：大鼠口经LD50： 1550mg/kg；小鼠口经LD50：1360mg/kg； 生态学数据: 对是水稍微有危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。 CHEMICAL IDENTIFICATION RTECS NUMBER : SZ1679000 CHEMICAL NAME : Phosphine oxide, tripropyl- CAS REGISTRY NUMBER : 1496-94-2 LAST UPDATED : 199712 DATA ITEMS CITED : 5 MOLECULAR FORMULA : C9-H21-O-P HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1550 mg/kg TOXIC EFFECTS : Autonomic Nervous System - other (direct) parasympathomimetic Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold REFERENCE : GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 49(2),92,1984 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1360 mg/kg TOXIC EFFECTS : Autonomic Nervous System - other (direct) parasympathomimetic Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold REFERENCE : GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 49(2),92,1984 ** OTHER MULTIPLE DOSE TOXICITY DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 9300 mg/kg/30D-I TOXIC EFFECTS : Liver - liver function tests impaired Kidney, Ureter, Bladder - other changes in urine composition Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - true cholinesterase REFERENCE : GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 49(2),92,1984

安全

• 海关编码: 2931900090

合成路线

106-94-5 ~69% 1496-94-2

文献：Gusarova, N. K.; Malysheva, S. F.; Rakhmatulina, T. N.; Dmitriev, V. I.; Shaikhudinova, S. I.; et al. J. Gen. Chem. USSR (Engl. Transl.), 1990 , vol. 60, # 4.1 p. 828 - 832,725 - 729

106-94-5 ~0% 1496-94-2 27443-18-1

文献：Malysheva, S. F.; Garashchenko, Z. M.; Arbuzova, S. N.; Nikitin, M. V.; Gusarova, N. K.; Trofimov, B. A. Russian Journal of General Chemistry, 1997 , vol. 67, # 11 p. 1794 - 1795 Zhurnal Obshchei Khimii, 1997 , vol. 67, # 11 p. 1905 - 1906

100-44-7 106-94-5 ~0% 1496-94-2 91953-92-3 详细

文献：Gusarova; Shaikhudinova; Reutskaya; Ivanova; Tatarinova; Trofimov Russian Chemical Bulletin, 2000 , vol. 49, # 7 p. 1320 - 1320

115-86-6 927-77-5 ~% 1496-94-2

文献：Gilman; Vernon Journal of the American Chemical Society, 1926 , vol. 48, p. 1066

540-54-5 ~% 1496-94-2

文献：Trofimov, B. A.; Gusarova, N. K.; Malysheva, S. F.; Dmitriev, V. I.; Rakhmatulina, T. N.; Voronkov, M. G. Phosphorus, Sulfur and Silicon and the Related Elements, 1990 , vol. 51/52, p. 713

107-08-4 ~% 1496-94-2

文献：Trofimov, B. A.; Gusarova, N. K.; Malysheva, S. F.; Dmitriev, V. I.; Rakhmatulina, T. N.; Voronkov, M. G. Phosphorus, Sulfur and Silicon and the Related Elements, 1990 , vol. 51/52, p. 713

2234-97-1 7175-54-4 ~% 1496-94-2 16812-36-5

文献：Fukuzumi, Shunichi; Shimoosako, Kanji; Suenobu, Tomoyoshi; Watanabe, Yoshihito Journal of the American Chemical Society, 2003 , vol. 125, # 30 p. 9074 - 9082

927-77-5 ~% 1496-94-2

文献：Pickard; Kenyon Journal of the Chemical Society, 1906 , vol. 89, p. 264

60-29-7 115-86-6 927-77-5 108-88-3 ~% 详细

文献：Gilman; Vernon Journal of the American Chemical Society, 1926 , vol. 48, p. 1066

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%