141556-46-9 (二氧二氟化氙,1,3-Bis(4-chlorophenyl)-1H-imidazol-3-ium chloride)

CAS号:
141556-46-9
中文名称:
二氧二氟化氙
英文名称:
1,3-Bis(4-chlorophenyl)-1H-imidazol-3-ium chloride
分子式:
C15H11Cl3N2
分子量:
325.620240449905

二氧二氟化氙(141556-46-9)名称与标识符

名称

中文别名:
1,3-双(4-氯苯基)氯化咪唑;1,3 - 双(4 - 氯苯基)咪唑氯化物;1,3-双(4-氯苯基)咪唑氯化物;二氧二氟化氙;1,3-双(4-氯苯基)-1H-咪唑氯化物;
英文别名:
1,3-Bis(4-chlorophenyl)-1H-imidazol-3-ium chloride;1,3-Bis(4-chlorophenyl)imidazolium chloride;1,3-bis(4-chlorophenyl)imidazol-1-ium,chloride;1H-Imidazolium,1,3-bis(4-chlorophenyl)-, chloride (1:1);pCl IMD salt;MFCD03788924;1,3-Bis(4-chlorophenyl)midazolium chloride;D83390;1,3-Bis(4-chlorophenyl)-1H-imidazol-3-iumchloride;DTXSID80579865;SCHEMBL3940284;141556-46-9;1H-Imidazolium, 1,3-bis(4-chlorophenyl)-, chloride (1:1);1,3-bis(4-chlorophenyl)imidazol-1-ium;chloride;1,3-bis-(4-Chlorophenyl)imidazolium chloride;CS-0035204;

标识符

MDL:
MFCD03788924
InChIKey:
SANZEZUASUDVTC-UHFFFAOYSA-M
Inchi:
1S/C15H11Cl2N2.ClH/c16-12-1-5-14(6-2-12)18-9-10-19(11-18)15-7-3-13(17)4-8-15;/h1-11H;1H/q+1;/p-1
SMILES:
ClC1C=CC(=CC=1)[N+]1C=CN(C2C=CC(=CC=2)Cl)C=1.[Cl-]

二氧二氟化氙(141556-46-9)物化性质

实验特性

  • LogP : 1.06480
  • PSA : 8.81000
  • 熔点 : 251-252°C
  • 颜色与性状 : 无可用
  • 稳定性 : hygroscopic
  • 溶解性 : 无可用

计算特性

  • 精确分子量 : 323.99900
  • 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 : 323.998781g/mol
  • 重原子数量 : 20
  • 复杂度 : 256
  • 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
  • 疏水参数计算参考值(XlogP) : 无
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 8.8Ų

二氧二氟化氙(141556-46-9)安全信息

二氧二氟化氙(141556-46-9)海关数据

海关编码:
2933290090
海关数据:

中国海关编码:

2933290090

概述:

2933290090. 其他结构含非稠合咪唑环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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二氧二氟化氙(141556-46-9) MSDS

基础信息


Section 1: Product Identification
   Chemical Name:       1,3-Bis(4-chlorophenyl)imidazolium chloride, min. 97%    
   CAS Registry Number:       141556-46-9    
   Formula:       [C15H11Cl2N2]Cl    
   EINECS Number:       None    
   Chemical Family:       organic amine    
   Synonym:       1,3-di-(4-chlorophenyl)imidazolium chloride    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       141556-46-9       100%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       Irritiating to skin, eyes and respiratory tract. May be harmful if swallowed.    
   Primary Routes of Exposure:       Ingestion, inhalation, skin and eyes.    
   Eye Contact:       Irritating to the eyes.    
   Skin Contact:       Irritating to the skin.    
   Inhalation:       Irritating to the nose, mucous membranes and respiratory tract.    
   Ingestion:       No information available on the physiological effects of ingestion.    
   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 and hydrogen chloride.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: 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 in a cool, dry place in a tightly sealed container.    

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:       cream-colored powder    
   Molecular Weight:       325.62    
   Melting Point:       251-252°C    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       none    
   Solubility in Water:       soluble    

SECTION 10: Stability and Reactivity
   Stability:       hygroscopic    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       exposure to moisture and strong bases.    
   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):       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