112193-83-6 (1-苄基-1,4,7,10-四氮杂环十二烷,1-Benzyl-1,4,7,10-tetraazacyclododecane)

CAS号:
112193-83-6
中文名称:
1-苄基-1,4,7,10-四氮杂环十二烷
英文名称:
1-Benzyl-1,4,7,10-tetraazacyclododecane
分子式:
C15H26N4
分子量:
262.393743038177

1-苄基-1,4,7,10-四氮杂环十二烷(112193-83-6)名称与标识符

名称

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;3-氟-5??-碘苯胺;4-氯-6-甲基噻吩[2,3-D]嘧啶;
英文别名:
1-Benzyl-1,4,7,10-tetraazacyclododecane;1-benzyl-1,4,7,10-tetrazacyclododecane;1,4,7,10-Tetraazacyclododecane,1-(phenylmethyl);1-benzyl-1,4,7-tetraazacyclododecane;benzylcyclene;monobenzylcyclene;mono-N-benzylcyclen;N-Benzyl-1,4,7,10-tetraazacyclododecane;N-benzyl-cyclen;SCHEMBL7062479;112193-83-6;N-BENZYL-1,4,7,10-TETRAAZACYCLODODECANE,MIN.98%;MFCD09263310;FURLCQRFFWBENR-UHFFFAOYSA-N;1-Benzylcyclen;CS-0105687;J-002724;DTXSID90435403;G78887;

标识符

MDL:
MFCD09263310
InChIKey:
FURLCQRFFWBENR-UHFFFAOYSA-N
Inchi:
1S/C15H26N4/c1-2-4-15(5-3-1)14-19-12-10-17-8-6-16-7-9-18-11-13-19/h1-5,16-18H,6-14H2
SMILES:
N1(CC2C=CC=CC=2)CCNCCNCCNCC1

1-苄基-1,4,7,10-四氮杂环十二烷(112193-83-6)物化性质

实验特性

  • LogP : 1.19530
  • PSA : 39.33000
  • 折射率 : 1.501
  • 水溶性 : Soluble in water.
  • 沸点 : 412.225°C at 760 mmHg
  • 熔点 : 84-86°C
  • 闪点 : 218.947°C
  • 颜色与性状 : 白色粉末
  • 溶解性 : 溶于水
  • 敏感性 : Hygroscopic
  • 密度 : 0.971

计算特性

  • 精确分子量 : 262.21600
  • 氢键供体数量 : 3
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 2
  • 同位素质量 : 262.21574685g/mol
  • 重原子数量 : 19
  • 复杂度 : 204
  • 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 : 1
  • 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 : 39.3Ų

1-苄基-1,4,7,10-四氮杂环十二烷(112193-83-6)海关数据

海关编码:
2933990090
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

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(112193-83-6)推荐厂家 更多厂家(9)

1-苄基-1,4,7,10-四氮杂环十二烷(112193-83-6) MSDS

基础信息


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