三(吡唑)甲烷

三(吡唑)甲烷 基本信息
CAS号 80510-03-8 分子式 C10H10N6
分子量 214.22700 精确质量  214.09700
PSA  53.46000 LogP  0.82880

基本信息 展开↓

CAS号:
80510-03-8
3D弹球模型:
立即前往扯扯看
分子式:
C10H10N6
分子量:
214.22700
中文名称:
三(吡唑)甲烷
英文名称:
1-[di(pyrazol-1-yl)methyl]pyrazole
中文别名:
三(吡唑)甲烷
英文别名:
1-[di(pyrazol-1-yl)methyl]pyrazole;
TRIS(PYRAZOL-1-YL)METHANE;
TRIS(PYRAZOL-1-YL)METHANE, MIN. 98%;
Tris(pyrazol-1-yl)methane,min.98%
精确分子量/精确质量:
214.09700
极性分子表面积/PSA:
53.46000
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。
贝尔斯坦号/MDL:
MFCD00040255
InChI:
The Key: QOHVIMQQEFHOLE-UHFFFAOYSA-N

物化性质展开↓

密度:
1.38g/cm3
熔点:
103-104ºC
沸点:
399.6ºC at 760 mmHg
闪点:
195.5ºC
折射率:
1.734
其它信息:

1.      性状:未确定

2.      密度(g/mL20 ºC):未确定

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):103-104

5.      沸点(ºC,常压):未确定

6.      沸点(ºC0.35mmHg):未确定

7.      折射率:未确定

8.      闪点(º F):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(kPa,):未确定

12.   饱和蒸气压(kPa,60ºC):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(正辛醇/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:未确定

 

安全信息展开↓

海关代码:
2933199090

合成路线查看所有的合成路线

  • 288-13-1

    吡唑

  • +

  • 67-66-3

    氯仿

  • ~78%

  • 80510-03-8

    三(吡唑)甲烷

  • 27258-04-4

    1,1'-Methylenebis-1H-pyrazole

  • ~30%

  • 288-13-1

    吡唑

  • +

  • 930-36-9

    N-甲基吡唑

  • 110167-95-8

    110167-95-8

  • 80510-03-8

    三(吡唑)甲烷

  • +

  • 866-55-7

    二乙基二氯化锡

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       Tris(pyrazol-1-yl)methane, min. 98%    
   CAS Registry Number:       80510-03-8    
   Formula:       C10H10N6    
   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       80510-03-8       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:       The material is a fine powder. Irritating to the nose, mucous membranes and respiratory tract.    
   Ingestion:       No specific information is available on the physiological effects of 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:       no data    
   Autoignition Temperature:       none    
   Explosion Limits:       none    
   Extinguishing Medium:       carbon dioxide, dry powder or foam    
   If this material 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 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 moisture.    

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:       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:       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:       white pwdr.    
   Molecular Weight:       214.23    
   Melting Point:       103-104°    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       no data    
   Solubility in Water:       no data    

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, organic fumes, and nitrogen dioxide    

SECTION 11: Toxicological Information
   RTECS Data:       No information available in the RTECS files.    
   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 in the TSCA inventory.    
   SARA (Title 313):       Not reportable under SARA Title 313    
   Second Ingredient:       none    


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2933199090

概述:
2933199090. 其他结构上有非稠合吡唑环化合物. 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:
2933199090. other compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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):0.6

2.氢键供体数量:0

3.氢键受体数量:3

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积53.5

7.重原子数量:16

8.表面电荷:0

9.复杂度:197

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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