环已基膦

环已基膦 基本信息
CAS号 822-68-4 分子式 C6H13P
分子量 116.14100 精确质量  116.07500
PSA  13.59000 LogP  2.19420

基本信息 展开↓

CAS号:
822-68-4
3D弹球模型:
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分子式:
C6H13P
分子量:
116.14100
中文名称:
环已基膦
英文名称:
cyclohexylphosphane
中文别名:
环已基膦;
环己基膦
英文别名:
cyclohexylphosphane;
mono-cyclohexylphosphine;
(cyclohexyl)PH2;
cyclohexyl-phosphine;
Phosphine,cyclohexyl
精确分子量/精确质量:
116.07500
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:
MFCD00014297
InChI:
InChI=1/C6H13P/c7-6-4-2-1-3-5-6/h6H,1-5,7H2

物化性质展开↓

外观与性状:
无色液体带有一种攻击性的气味
密度:
0.875 g/cm3
沸点:
145ºC
闪点:
-21ºC
其它信息:

1.       性状:未确定

2.       密度(g/mL,25/4):0,875 g/cm3

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):未确定

5.       沸点(ºC,常压):67-69°C

6.       沸点(ºC,5.2kPa):未确定

7.       折射率:未确定

8.       闪点(ºC):-21°C

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

安全信息展开↓

危险类别码:
17-20/21/22-34
安全说明:
9-16-26-36/37/39
安全标志:
S9:保持容器在一个有良好通风放的场所。
S16:远离火源。
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
:

合成路线查看所有的合成路线

  • 79564-48-0

    Monoethoxicarbonylcyclohexylphosphan

  • 64-17-5

    乙醇

  • +

  • 822-68-4

    环已基膦

  • 80984-31-2

    80984-31-2

  • 822-68-4

    环已基膦

  • 1005-22-7

    环己基膦酰二氯

  • 822-68-4

    环已基膦

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       Cyclohexylphosphine, min. 97%(Sure Seal TM bottle)    
   CAS Registry Number:       822-68-4    
   Formula:       C6H11PH2    
   EINECS Number:       none    
   Chemical Family:       organophosphorus ligand    
   Synonym:       none    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       822-68-4       100%       no data       no data    

Section 3: Hazards Identification
   Harmful by inhalation, in contact with skin and if swallowed. Material has a pungent odor. Inhalation of vapors
   Emergency Overview:
   may lead to headache and dizziness.
   Primary Routes of Exposure:       Ingestion, skin, inhalation    
   Eye Contact:       May cause mild to severe irritation of the eyes.    
   Skin Contact:       Harmful in contact with skin. May cause mild irritation of the skin, or thermal burns if ignited.    
   Harmful by inhalation. Inhalation may lead to headaches and dizziness. May be irritating to nose and mucous
   Inhalation:
   membranes.
   Ingestion:       Harmful if swallowed. May cause vomiting and diarrhea.    
   Acute Health Affects:       Harmful by inhalation, in contact with skin and if swallowed.    
   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:       no data    
   Autoignition Temperature:       pyrophoric    
   Explosion Limits:       Pyrophoric    
   Extinguishing Medium:       carbon dioxide, dry powder or foam    
   The pyrophoric liquid may reignite. Fire fighters should be equipped with an approved positive pressure
   Special Fire Fighting Procedures:
   self-contained breathing apparatus and full protective clothing.
   Hazardous Combustion and       If involved in a fire this material may emit toxic organic fumes and vapors of phosphorus pentoxide.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: Spontaneously flammable in air, especially in contact with organic matter such as paper or cloth.

SECTION 6: Accidental Release Measures
   'The material may ignite spontaneously in air. Avoid static discharge. Burning material may release
   toxic fumes. In case of poor ventilation, leave the area unless fitted with a self-contained breathing apparatus.
   Spill and Leak Procedures:
   Small spills can be mixed with ground limestone, sodium bicarbonate, or other suitable absorbents, swept up,
   and held in a closed metal can.

SECTION 7: Handling and Storage
   Store in a tightly sealed container under an inert atmosphere of nitrogen or argon. Keep away from heat.
   Handling and Storage:       Material should be transferred under an inert atmosphere of nitrogen or argon in a efficient fume hood. Fire    
   may occur in emptied container and transfer lines.

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.    
   Ventilation:       Material has a pungent odor. 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. Always handle material in an efficient fume hood.    
   Additional Protection:       Wear a full face shield, flame resistant lab apron and suitable gloves.    

SECTION 9: Physical and Chemical Properties
   Color and Form:       colorless liq.    
   Molecular Weight:       116.14    
   Melting Point:       no data    
   Boiling Point:       145°C    
   Vapor Pressure:       no data    
   Specific Gravity:       0.8750    
   Odor:       pungent, offensive odor    
   Solubility in Water:       insoluble    

SECTION 10: Stability and Reactivity
   Stability:       air-sensitive liquid - pyrophoric    
   Hazardous Polymerization:       no hazardous polymerization    
   Contact with air. Material may spontaneously ignite, especially in the presence of organic matter such as
   Conditions to Avoid:
   paper or cloth.
   Incompatibility:       oxidizing agents, halogens, air (pyrophoric), halocarbons, sulfur.    
   Decomposition Products:       carbon dioxide, carbon monoxide, organic vapors, 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 local, state and federal regulations.    

SECTION 14: Transportation
   Shipping Name (CFR):       Pyrophoric liquids, organic, N.O.S.    
   Hazard Class (CFR):       4.2    
   Additional Hazard Class (CFR):       NA    
   Packaging Group (CFR):       I    
   UN ID Number (CFR):       UN# 2845    
   Shipping Name (IATA):       Forbidden    
   Hazard Class (IATA):       NA    
   Additional Hazard Class (IATA):       NA    
   Packaging Group (IATA):       NA    
   UN ID Number (IATA):       UN# 2845    

SECTION 15: Regulatory Information
   TSCA:       Not listed in the TSCA inventory.    
   SARA (Title 313):       Not reportable under SARA Title 313    
   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):无

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: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:7

8.表面电荷:0

9.复杂度:46.1

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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