1,3-二(1-金刚烷基)咪唑-2-亚基

1,3-二(1-金刚烷基)咪唑-2-亚基 基本信息
CAS号 131042-77-8 分子式 C23H32N2
分子量 336.51400 精确质量  336.25700
PSA  6.48000 LogP  4.59850

基本信息 展开↓

CAS号:
131042-77-8
3D弹球模型:
立即前往扯扯看
分子式:
C23H32N2
分子量:
336.51400
中文名称:
1,3-二(1-金刚烷基)咪唑-2-亚基
英文名称:
1,3-bis(1-adamantyl)-2H-imidazole
中文别名:
1,3-二(1-金刚烷基)咪唑-2-亚基;
1,3-双(1-金刚烷)-2-咪唑二甲苯胺
英文别名:
1,3-bis(1-adamantyl)-2H-imidazole;
1,3-di-1-adamantylimidazolin-2-ylidene;
1,3-di-1-adamanthylimidazolin-2-ylidene
精确分子量/精确质量:
336.25700
极性分子表面积/PSA:
6.48000
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: HPESDZAFNBMVII-UHFFFAOYSA-N

物化性质展开↓

熔点:
240-241ºC
折射率:
1.641
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):240-241

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↓

危险类别码:
R10
安全说明:
S9
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。

合成路线查看所有的合成路线

  • 286014-42-4

    1,3-双(1-金刚烷基)咪唑四氟硼酸盐

  • ~75%

  • 131042-77-8

    1,3-二(1-金刚烷基)咪唑-2-亚基

  • 768-94-5

    1-金刚烷胺

  • 131042-77-8

    1,3-二(1-金刚烷基)咪唑-2-亚基

  • 131042-78-9

    1,3-二(金刚烷-1-基)氯化咪唑

  • 131042-77-8

    1,3-二(1-金刚烷基)咪唑-2-亚基

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:       1,3-Bis(1-adamantyl)imidazol-2-ylidene, min. 98% ARDUENGO'S CARBENE    
   CAS Registry Number:       131042-77-8    
   Formula:       C23H32N2    
   EINECS Number:       None    
   Chemical Family:       organic amine    
   Synonym:       1,3-di-adamantylimidazol-2-ylidene    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       131042-77-8       100%       no data       no data    

Section 3: Hazards Identification
   The product is an irritant to the skin, eyes, mucous membranes and upper respiratory tract. Ingestion of small
   Emergency Overview:
   amounts are harmful.
   Primary Routes of Exposure:       Ingestion, inhalation of dust. Eyes and skin.    
   Eye Contact:       Causes moderate irritation of the eyes.    
   Skin Contact:       Causes slight to moderate irritation of the skin.    
   Inhalation:       Dust is irritating to the nose, mucous membranes and respiratory tract.    
   Ingestion may lead to sleepiness, dizziness, abdominal cramps, vomiting, bloody diarrhea, weakness, and
   Ingestion:
   convulsions.
   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:       no data    
   Autoignition Temperature:       none    
   Explosion Limits:       none    
   Extinguishing Medium:       carbon dioxide, foam or dry powder    
   If this product is involved in a fire, fire fighters should be equipped with a NIOSH 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 fumes of nitrogen oxides.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: Flammable solid. No unusual fire or explosion hazards.

SECTION 6: Accidental Release Measures
   Small spills can be mixed with vermiculite, sodium carbonate or other suitable non combustible adsorbent and
   Spill and Leak Procedures:
   swept up.

SECTION 7: Handling and Storage
   Handling and Storage:       Store cold, in a tightly sealed container under an inert atmosphere of 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.    
   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:       336.51    
   Melting Point:       240-241°C    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       none    
   Solubility in Water:       reactive in water    

SECTION 10: Stability and Reactivity
   Stability:       air sensitive, moisture sensitive    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       exposure to air, halogenated and acidic solvents    
   Incompatibility:       strong oxidizing agents, halogenated solvents and acidic solvents.    
   Decomposition Products:       carbon dioxide, carbon monoxide, nitrogen oxides, and organic fumes.    

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 local, state and federal regulations.    

SECTION 14: Transportation
   Shipping Name (CFR):       Flammable solids, Organic, N.O.S.    
   Hazard Class (CFR):       4.1    
   Additional Hazard Class (CFR):       NA    
   Packaging Group (CFR):       II    
   UN ID Number (CFR):       UN# 1325    
   Shipping Name (IATA):       Flammable solid, Organic, N.O.S.    
   Hazard Class (IATA):       4.1    
   Additional Hazard Class (IATA):       NA    
   Packaging Group (IATA):       II    
   UN ID Number (IATA):       UN# 1325    

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↓

分子结构数据


1摩尔折射率:无可用

2、   摩尔体积(cm3/mol):无可用       

3、   等张比容(90.2K):无可用

4、   表面张力(dyne/cm):无可用

5、   极化率:无可用

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:无

3.氢键受体数量:无

4.可旋转化学键数量:无

5.互变异构体数量:无

6.拓扑分子极性表面积无

7.重原子数量:无

8.表面电荷:无

9.复杂度:无

10.同位素原子数量:无

11.确定原子立构中心数量:无

12.不确定原子立构中心数量:无

13.确定化学键立构中心数量:无

14.不确定化学键立构中心数量:无

15.共价键单元数量:无

上下游相关产品

上游产品

更多
  • 286014-42-4

    1,3-双(1-金刚烷基)咪唑四氟硼酸盐

  • 131042-78-9

    1,3-二(金刚烷-1-基)氯化咪唑

  • 768-94-5

    1-金刚烷胺

立即下载安装“化学加”APP
专业、功能强大,随时调用更加方便