141556-46-9

• 常用中文名：1,3-双(4-氯苯基)咪唑氯化物
• 常用英文名：1,3-BIS(4-CHLOROPHENYL)-1H-IMIDAZOL-3-IUM CHLORIDE
• CAS号：141556-46-9
• 分子式：C₁₅H₁₁Cl₃N₂
• 分子量：325.62000
• 发布时间：2019-01-02 07:41:26
• 更新时间：2024-01-09 21:07:12

名称

• 中文名: 1,3-双(4-氯苯基)咪唑氯化物
• 英文名: 1,3-bis(4-chlorophenyl)imidazol-1-ium,chloride
• 英文别名: pCl IMD salt

物化性质

• 熔点: 251-252ºC
• 分子式: C₁₅H₁₁Cl₃N₂
• 分子量: 325.62000
• 精确质量: 323.99900
• PSA: 8.81000
• LogP: 1.06480
• 储存条件:

  密闭于阴凉干燥环境中

• 稳定性:

  遵照规定使用和储存则不会分解。

• 分子结构:

  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:

  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: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8.8

  7.重原子数量:20

  8.表面电荷:0

  9.复杂度:256

  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:2

• 更多:

  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）：251-252

  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

MSDS

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 IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL) Title Compound141556-46-9100%no datano 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 andIf 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

毒性和生态

生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境。

安全

• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26
• 海关编码: 2933290090

合成路线

24978-44-7 3188-13-4 ~65% 141556-46-9

文献：Solovyev, Andrey; Ueng, Shau-Hua; Monot, Julien; Fensterbank, Louis; Malacria, Max; Lacote, Emmanuel; Curran, Dennis P. Organic Letters, 2010 , vol. 12, # 13 p. 2998 - 3001

上下游产品

上游产品  2
24978-44-7 3188-13-4
下游产品  0

海关

海关编码	2933290090
中文概述	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%