二-1-金刚烷基氯化膦

二-1-金刚烷基氯化膦 基本信息
CAS号 126683-99-6 分子式 C20H30ClOP
分子量 352.87800 精确质量  352.17200
PSA  26.88000 LogP  6.44090

基本信息 展开↓

CAS号:
126683-99-6
3D弹球模型:
立即前往扯扯看
分子式:
C20H30ClOP
分子量:
352.87800
中文名称:
二-1-金刚烷基氯化膦
英文名称:
1-[1-adamantyl(chloro)phosphoryl]adamantane
中文别名:
二-1-金刚烷基氯化膦;
双(1-金刚烷基)膦酰氯
英文别名:
1-[1-adamantyl(chloro)phosphoryl]adamantane;
Di-1-adamantylphosphinsaeurechlorid;
DI-1-ADAMANTYLPHOSPHINIC CHLORIDE
精确分子量/精确质量:
352.17200
极性分子表面积/PSA:
26.88000
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。
InChI:
The Key: RTFVOXURDFZPKR-UHFFFAOYSA-N

物化性质展开↓

熔点:
214ºC
存储条件/存储方法:

 

 密闭于阴凉干燥环境中

稳定性相关:

 

遵照规定使用和储存则不会分解。

其它信息:

1.       性状:无可用

2.       密度(g/mL,25/4):无可用

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):214

5.       沸点(ºC,常压):无可用

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:无可用

8.       闪点(ºC):无可用

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V):无可用

19.    溶解性:无可用

安全信息展开↓

海关代码:
2903890090

合成路线查看所有的合成路线

  • 7446-70-0

    无水三氯化铝

  • +

  • 281-23-2

    金刚烷

  • +

  • 7719-12-2

    三氯化磷

  • ~95%

  • 126683-99-6

    二-1-金刚烷基氯化膦

  • 281-23-2

    金刚烷

  • ~93%

  • 126683-99-6

    二-1-金刚烷基氯化膦

  • 768-95-6

    1-金刚烷醇

  • +

  • 23906-91-4

    (1-adamantyl)dichlorophosphine

  • ~87%

  • 126683-99-6

    二-1-金刚烷基氯化膦

毒理性展开↓

生态数据:

 

该物质对环境可能有危害,对水体应给予特别注意。

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       Di-1-adamantylphosphinic chloride, 98%    
   CAS Registry Number:       126683-99-6    
   Formula:       (C10H15)2POCl    
   EINECS Number:       none    
   Chemical Family:       organophosphine ligand    
   Synonym:       Di-1-adamantylchlorophosphane    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title compound       126683-99-6       100%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to skin, eyes and respiratory tract.    
   Primary Routes of Exposure:       Inhalation, skin, eyes.    
   Eye Contact:       Dust causes moderate to severe irritation of the eyes.    
   Skin Contact:       Causes moderate to severe irritation of the skin. May cause redness, itching and pain.    
   Inhalation:       Dust is 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 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:       no data    
   Explosion Limits:       no data    
   Extinguishing Medium:       carbon dioxide, dry powder 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       If involved in a fire this material may emit toxic organic fumes.    
   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 powdered sodium carbonate or ground limestone and swept up.    

SECTION 7: Handling and Storage
   Handling and Storage:       Store the material in a cool, dry place in a tightly sealed container. Handle under a dry atmosphere.    

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:       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:       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:       352.88    
   Melting Point:       214°    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       not determined    
   Solubility in Water:       insoluble    

SECTION 10: Stability and Reactivity
   Stability:       moisture sensitive    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       none    
   Incompatibility:       oxidizing agents and halogens    
   Decomposition Products:       carbon monoxide, carbon dioxide, hydrogen chloride, organic fumes and phosphorus pentoxide.    

SECTION 11: Toxicological Information
   RTECS Data:       No information available in the RTECS files.    
   Carcinogenic Effects:       no data    
   Mutagenic Effects:       no data    
   Tetratogenic Effects:       no data    

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

海关数据查看详细

中国海关编码:2903890090

概述:
2903890090. 其他环烷烃、环烯烃或环萜烯烃的卤化衍生物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:5.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途
摘要/Summary:
2903890090. halogenated derivatives of cyclanic, cyclenic or cyclotherpenic hydrocarbons. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

分子结构与计算化学数据展开↓

分子结构数据


1、   摩尔折射率:93.85

2、   摩尔体积(m3/mol):286.2

3、   等张比容(90.2K):744.8

4、   表面张力(dyne/cm):45.8

5、   极化率10-24cm3):37.20

  

计算化学数据


1.疏水参数计算参考值(XlogP):5.5

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:2

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:23

8.表面电荷:0

9.复杂度:466

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

上下游相关产品

上游产品

更多
  • 281-23-2

    金刚烷

  • 768-90-1

    1-溴金刚烷

  • 23906-91-4

    (1-adamantyl)dichlorophosphine

  • 7446-70-0

    无水三氯化铝

  • 7719-12-2

    三氯化磷

下游产品

更多
  • 131266-79-0

    二-1-金刚烷基氧化膦

  • 131211-27-3

    二(1-金刚烷基)膦

  • 157282-19-4

    双(1-金刚烷基)氯化磷

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便