1-苄基-1,4,7,10-四氮杂环十二烷

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学

1-苄基-1,4,7,10-四氮杂环十二烷 基本信息

中文名称:
1-苄基-1,4,7,10-四氮杂环十二烷 
中文别名:
1-苄基-1,4,7,10-四氮杂环十二烷;
1-苄基-1,4,7,10-四氮环十二烷 
英文名称:
1-Benzyl-1,4,7,10-tetraazacyclododecane
英文别名:
1-benzyl-1,4,7,10-tetrazacyclododecane;
benzylcyclene;
N-Benzyl-1,4,7,10-tetraazacyclododecane;
monobenzylcyclene;
1-benzyl-1,4,7-tetraazacyclododecane;
1,4,7,10-Tetraazacyclododecane,1-(phenylmethyl);
mono-N-benzylcyclen;
N-benzyl-cyclen;
1-BENZYL-1,4,7,10-TETRAAZACYCLODODECANE 
CAS No.:
112193-83-6
分 子 式:
C15H26N4
分 子 量:
0
精确分子量:
262.21600
PSA:
39.33000
MDL:
MFCD09263310
InChI:
The Key: FURLCQRFFWBENR-UHFFFAOYSA-N
分子结构式:
SDS:
查看

1-苄基-1,4,7,10-四氮杂环十二烷 物化性质

外观与性状:
白色粉末
密度:
0.971g/cm3
熔点:
84-86ºC
沸点:
412.225ºC at 760 mmHg
闪点:
218.947ºC
折射率:
1.501
蒸汽压:
0mmHg at 25°C
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。远离氧化剂,水源,湿空气。

稳定性相关:

常温常压下稳定,避免与水源,氧化剂接触。

 

其它信息:

1.      性状:白色粉末

2.      密度(g/mL,25):未确定

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):84-86

5.      沸点(ºC,常压):未确定

6.      沸点(ºC0.3mmHg):未确定

7.      折射率(n20/D):未确定

8.      闪点(ºC):未确定

9.      比旋光度(º):未确定

10.   自燃点或引燃温度(ºC):未确定

11.   蒸气压(mmHg,20ºC):未确定

12.   饱和蒸气压(kPa,25ºC):未确定

13.   燃烧热(KJ/mol):未确定

14.   临界温度(ºC):未确定

15.   临界压力(KPa):未确定

16.   油水(辛醇/水)分配系数的对数值:未确定

17.   爆炸上限(%,V/V):未确定

18.   爆炸下限(%,V/V):未确定

19.   溶解性:溶于水

1-苄基-1,4,7,10-四氮杂环十二烷 安全信息

海关代码:
2933990090

1-苄基-1,4,7,10-四氮杂环十二烷 毒理性

生态数据:

对水稍微危害,避免未稀释或大量的产品接触地下水、水道或污水系统。

若无政府许可,勿将材料排入周围环境。

1-苄基-1,4,7,10-四氮杂环十二烷 MSDS


Section 1: Product Identification
   Chemical Name:       N-Benzyl-1,4,7,10-tetraazacyclododecane, min. 98%    
   CAS Registry Number:       112193-83-6    
   Formula:       C15H26N4    
   EINECS Number:       none    
   Chemical Family:       organic amine    
   Synonym:       none    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title compound       112193-83-6       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:       Causes slight to mild irritation of the eyes.    
   Skin Contact:       Causes irritation to the skin    
   Inhalation:       Causes irritation to the nose, mucous membranes and respiratory tract    
   Ingestion:       No information 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 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:       no data    
   Explosion Limits:       none    
   Extinguishing Medium:       carbon dioxide, dry chemical 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 organic fumes    
   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 tightly sealed container. Keep in a cool, dry 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:       white to yellow powder    
   Molecular Weight:       262.39    
   Melting Point:       no data    
   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:       air and moisture stable    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       none    
   Incompatibility:       oxidizing agents    
   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

1-苄基-1,4,7,10-四氮杂环十二烷 海关数据

中国海关编码:2933990090

概述:
2933990090. 其他仅含氮杂原子的杂环化合物. 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
摘要/Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1-苄基-1,4,7,10-四氮杂环十二烷 分子结构与计算化学数据

分子结构数据

1、摩尔折射率:79.67

2、摩尔体积(cm3/mol):270.3

3、等张比容(90.2K):645.8

4、表面张力(dyne/cm):32.5

5、介电常数:无可用的

6、极化率(10-24cm3):31.58

7、单一同位素质量:262.215747 Da

8、标称质量:262 Da

9、平均质量:262.3937 Da

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:3

3.氢键受体数量:4

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39.3

7.重原子数量:19

8.表面电荷:0

9.复杂度:204

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

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