852634-41-4 (1,3- 双(1 - 金刚烷基)苯并咪唑鎓氯化物,1H-Benzimidazolium,1,3-bis(tricyclo[3.3.1.13,7]dec-1-yl)-, chloride (1:1))

CAS号:
852634-41-4
中文名称:
1,3- 双(1 - 金刚烷基)苯并咪唑鎓氯化物
英文名称:
1H-Benzimidazolium,1,3-bis(tricyclo[3.3.1.13,7]dec-1-yl)-, chloride (1:1)
分子式:
C27H35N2.CL
分子量:
423.03300

1,3- 双(1 - 金刚烷基)苯并咪唑鎓氯化物(852634-41-4)名称与标识符

名称

中文别名:
1,3 - 双(1 - 金刚烷基)苯并咪唑鎓氯化物;1,3- 双(1 - 金刚烷基)苯并咪唑鎓氯化物;
英文别名:
1H-Benzimidazolium,1,3-bis(tricyclo[3.3.1.13,7]dec-1-yl)-, chloride (1:1);1,3-Bis(1-adamantyl)benzimidazolium chloride;1,3-BIS-(ADMANT-1-YL)-BENZIMIDAZOLIUM CHLORIDE;1,3-Di(adamantan-1-yl)-1H-benzo[d]imidazol-3-iumchloride;1,3-Bis(1-adamanthyl)benzimidazolium chloride;MFCD08705246;CS-0203313;1,3-Bis(1-adamantyl)benzimidazolium chloride,min. 97%;1,3-bis(1-adamantyl)benzimidazol-3-ium;chloride;1,3-Di(adamantan-1-yl)-1H-benzo[d]imidazol-3-ium chloride;SCHEMBL1077515;852634-41-4;1,3-Bis(1-adamanthyl)benzimidazolium chloride, 95%;1,3-BIS(ADAMANTAN-1-YL)-1??,3-BENZODIAZOL-1-YLIUM CHLORIDE;1,3-bis(1-adamantyl)-benzimidazolium chloride;

标识符

MDL:
MFCD08705246
InChIKey:
GMYUUHXEUIPSKA-UHFFFAOYSA-M
Inchi:
InChI=1S/C27H35N2.ClH/c1-2-4-25-24(3-1)28(26-11-18-5-19(12-26)7-20(6-18)13-26)17-29(25)27-14-21-8-22(15-27)10-23(9-21)16-27;/h1-4,17-23H,5-16H2;1H/q+1;/p-1
SMILES:
C1C2CC3CC1CC(C2)(C3)N4C=[N+](C5=CC=CC=C54)C67CC8CC(C6)CC(C8)C7.[Cl-]

1,3- 双(1 - 金刚烷基)苯并咪唑鎓氯化物(852634-41-4)物化性质

实验特性

  • LogP : 2.78340
  • PSA : 8.81000
  • 敏感性 : air sensitive

计算特性

  • 精确分子量 : 422.24900
  • 氢键供体数量 : 0
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 2
  • 同位素质量 : 422.2488768g/mol
  • 重原子数量 : 30
  • 复杂度 : 556
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 2
  • 拓扑分子极性表面积 : 8.8Ų

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1,3- 双(1 - 金刚烷基)苯并咪唑鎓氯化物(852634-41-4) MSDS

基础信息


Section 1: Product Identification
   Chemical Name:       1,3-Bis(1-adamantyl)benzimidazolium chloride, min. 97%    
   CAS Registry Number:       852634-41-4    
   Formula:       C27H35ClN2    
   EINECS Number:       none    
   Chemical Family:       organic amine hydrochloride    
   Synonym:       none    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title compound       852634-41-4       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 slight to mild 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 information 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    
   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 irritating 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 vermiculite or sodium carbonate and swept up.    

SECTION 7: Handling and Storage
   Store in a tightly sealed container under an inert atmosphere of nitrogen or argon. Keep in a cool, dry, well
   Handling and Storage:
   ventilated place.

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:       yellow-orange solid    
   Molecular Weight:       423.03    
   Melting Point:       No data    
   Boiling Point:       No data    
   Vapor Pressure:       No data    
   Specific Gravity:       no data    
   Odor:       none    
   Solubility in Water:       Insoluble    

SECTION 10: Stability and Reactivity
   Stability:       air sensitive    
   Hazardous Polymerization:       No hazardous polymerization    
   Conditions to Avoid:       prolonged exposure to air    
   Incompatibility:       strong oxidizing agents    
   Decomposition Products:       carbon monoxide, carbon dioxide, 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):       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):       Not reportable under SARA 313.    
   Second Ingredient:       none    


SECTION 16 - ADDITIONAL INFORMATION
N/A