三苄基膦

三苄基膦 基本信息
CAS号 7650-89-7 分子式 C21H21P
分子量 304.36500 精确质量  304.13800
PSA  13.59000 LogP  6.06890

基本信息 展开↓

CAS号:
7650-89-7
3D弹球模型:
立即前往扯扯看
分子式:
C21H21P
分子量:
304.36500
中文名称:
三苄基膦
英文名称:
Tribenzylphosphine
中文别名:
三苄基膦
英文别名:
Tribenzylphosphine;
tribenzylphosphane
精确分子量/精确质量:
304.13800
极性分子表面积/PSA:
13.59000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00014439
EINECS:
231-608-6
PubChem:
24889395
BRN:
650179
InChI:
The Key: IFXORIIYQORRMJ-UHFFFAOYSA-N

物化性质展开↓

熔点:
96-101 °C(lit.)
沸点:
183-185°C/0.2mm
闪点:
183-185°C/0.2mm
存储条件/存储方法:

干性的保护气体下处置,

保持贮藏器密封

放入紧密的贮藏器内,储存在阴凉,干燥的地方

稳定性相关:

如果遵照规格使用和储存则不会分解

避免接触氧化物,空气

其它信息:

1.      性状:未确定

2.      密度(g/mL 25ºC):未确定

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):96-101

5.      沸点(ºC0.2mmHg):183-185

6.      沸点(ºC,5.2kPa):未确定

7.      折射率(n20/D):未确定

8.      闪点(ºC0.2mmHg):183-185

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,20ºC):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(25℃):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(mg/mL, 25 ºC )未确定

安全信息展开↓

WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
36/37/38
安全说明:
S26
RTECS号:
SZ3865000
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
危险标志:
Xi

合成路线查看所有的合成路线

  • 100-44-7

    苄基氯

  • ~59%

  • 7650-89-7

    三苄基膦

  • 56522-04-4

    DIBENZYLPHOSPHINE

  • 14990-01-3

    benzylphosphane

  • +

  • 7650-89-7

    三苄基膦

  • 14990-01-3

    benzylphosphane

  • +

  • 620-05-3

    苄基碘

  • 56522-04-4

    DIBENZYLPHOSPHINE

  • +

  • 7650-89-7

    三苄基膦

毒理性展开↓

毒理学数据:

二、毒理学数据:

急性毒性:不可用

生态数据:

通常来说对水是不危害的,若无政府许可,勿将材料排入周围环境

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       Tribenzylphosphine, 98%    
   CAS Registry Number:       7650-89-7    
   Formula:       C21H21P    
   EINECS Number:       231-608-6    
   Chemical Family:       organophosphorus ligand    
   Synonym:       none    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title compound       7650-89-7       100%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to skin, eyes and respiratory tract. May be harmful if swallowed.    
   Primary Routes of Exposure:       Ingestion, inhalation    
   Eye Contact:       Causes moderate irritation of the eyes.    
   Skin Contact:       Causes slight to mild irritation of the skin.    
   Inhalation:       Irritating to the nose, mucous membranes and respiratory tract.    
   Ingestion:       No specific information is available on the physiological effects of ingestion. May be harmful if swallowed.    
   Acute Health Affects:       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:       dry chemical, carbon dioxide, water, 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 and       In a fire material 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
   Spillage in areas not adequately ventilated may require evacuation of area. Emergency response teams will
   Spill and Leak Procedures:       require self contained breathing apparatus. Small spills may be adsorbed into diatomaceous earth, sand, or    
   other suitable adsorbents, and swept up.

SECTION 7: Handling and Storage
   Store in a cool, dry, area away from heat. Material must be handled and stored under an inert atmosphere of
   Handling and Storage:
   nitrogen or argon.

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 has a pungent odor and may form a fine dust. Always handle 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 has a pungent odor and may form a fine dust. Always handle material in an efficient fume hood.    
   Additional Protection:       No additional protection required.    

SECTION 9: Physical and Chemical Properties
   Color and Form:       white pwdr.    
   Molecular Weight:       304.37    
   Melting Point:       96-101°    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       pungent odor    
   Solubility in Water:       insoluble    

SECTION 10: Stability and Reactivity
   Stability:       air sensitive    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       contact with air    
   Incompatibility:       oxidizing agents and halogens    
   Decomposition Products:       carbon dioxide, carbon monoxide, organic fumes, and phosphorus pentoxide.    

SECTION 11: Toxicological Information
   RTECS Data:       No information available in the RTECS files.    
   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:       Not listed in the TSCA inventory.    
   SARA (Title 313):       Title compound not listed.    
   Second Ingredient:       none    


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):4.4

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:6

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:22

8.表面电荷:0

9.复杂度:235

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

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