2,6-双[1-(2,6-二异丙苯亚氨基)乙基]吡啶

2,6-双[1-(2,6-二异丙苯亚氨基)乙基]吡啶 基本信息
CAS号 204203-14-5 分子式 C33H43N3
分子量 481.71500 精确质量  481.34600
PSA  37.61000 LogP  9.85660

基本信息 展开↓

CAS号:
204203-14-5
3D弹球模型:
立即前往扯扯看
分子式:
C33H43N3
分子量:
481.71500
中文名称:
2,6-双[1-(2,6-二异丙苯亚氨基)乙基]吡啶
英文名称:
N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]pyridin-2-yl]ethanimine
中文别名:
2,6-双[1-(2,6-二异丙苯亚氨基)乙基]吡啶;
N,N''-(2,6-Pyridinediyldiethylidyne)-bis-[2,6-bis-(1-methylethyl)-benzenamin
英文别名:
N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]pyridin-2-yl]ethanimine;
N-(2,6-diisopropylphenyl)-N-((1E)-1-(6-[(1E)-N-(2,6-diisopropylphenyl)ethanimidoyl]pyridin-2-yl)ethylidene)amine;
(C5H3N)(MeC=N(C6H4-2,6-iPr2))2;
2,6-BIS[1-(2,6-DI-I-PROPYLPHENYLIMINO)ETHYL]PYRIDINE;
2,5,6-TRIMETHYL[1,3]THIAZOLO[4,5-B]PYRAZINE;
2,6-bis[1-(2,6-diisopropylphenylimino)ethyl]pyridine;
2,6-{(dipp)NC(CH3)}2C5H3N
精确分子量/精确质量:
481.34600
极性分子表面积/PSA:
37.61000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: NVPUVWBDTWBFRF-UHFFFAOYSA-N

物化性质展开↓

密度:
0.99g/cm3
沸点:
573.6ºC at 760 mmHg
闪点:
300.7ºC
折射率:
1.551
蒸汽压:
1.44E-12mmHg at 25°C

安全信息展开↓

安全说明:
S26-S36-S37-S39
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
:

合成路线查看所有的合成路线

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  • 204203-14-5

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    四氢呋喃

  • +

  • 850196-08-6

    [Ti(2,6-bis[1-(2,6-diisopropylphenylimino)ethyl]pyridine)Cl4]

  • 31011-57-1

    四氯双(四氢呋喃)合钛(IV)

  • +

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    2,6-双[1-(2,6-二异丙苯亚氨基)乙基]吡啶

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  • 204203-14-5

    2,6-双[1-(2,6-二异丙苯亚氨基)乙基]吡啶

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       2,6-Bis[1-(2,6-di-i-propylphenylimino)ethyl]pyridine, 98%    
   CAS Registry Number:       204203-14-5    
   Formula:       C33H43N3    
   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       204203-14-5       100%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       No particular hazard associated with this material.    
   Primary Routes of Exposure:       Ingestion, inhalation    
   Eye Contact:       May cause slight to mild irritation of the eyes    
   Skin Contact:       May cause slight to mild irritation of the skin.    
   Inhalation:       May be irritating to the nose, mucous membranes and respiratory tract.    
   No specific information is available on the physiological effects of ingestion. May cause vomiting and diarrhea.
   Ingestion:
   Acute Health Affects:       May be 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:       none    
   Autoignition Temperature:       none    
   Explosion Limits:       none    
   Extinguishing Medium:       carbon dioxide, dry powder or foam    
   Fire fighters should be equipped with a NIOSH approved positive pressure self-contained breathing apparatus
   Special Fire Fighting Procedures:
   and full protective clothing.
   Hazardous Combustion and       If involved in a fire this material may emit toxic organic 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
   Handling and Storage:       Store in a tightly sealed container. Keep away from heat and direct sunlight.    

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:       pale yellow powder    
   Molecular Weight:       481.69    
   Melting Point:       no data    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       none    
   Solubility in Water:       slightly soluble    

SECTION 10: Stability and Reactivity
   Stability:       air and moisture-stable solid    
   Hazardous Polymerization:       none    
   Conditions to Avoid:       none    
   Incompatibility:       strong oxidizing agents    
   Decomposition Products:       carbon dioxide, carbon monoxide, nitrogen oxides, and organic fumes.    

SECTION 11: Toxicological Information
   RTECS Data:       No specific information available on this product.    
   Carcinogenic Effects:       No data available    
   Mutagenic Effects:       No data available    
   Tetratogenic Effects:       No data available    

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 on the TSCA inventory    
   SARA (Title 313):       not regulated by Title 313    
   Second Ingredient:       none    


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

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:2

3.氢键受体数量:2

4.可旋转化学键数量:2

5.互变异构体数量:3

6.拓扑分子极性表面积50.4

7.重原子数量:14

8.表面电荷:0

9.复杂度:201

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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