2-吡唑啉

2-吡唑啉 基本信息
CAS号 109-98-8 分子式 C3H6N2
分子量 70.09310 精确质量  70.05310
PSA  24.39000 LogP  -0.27010

基本信息 展开↓

CAS号:
109-98-8
3D弹球模型:
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分子式:
C3H6N2
分子量:
70.09310
中文名称:
2-吡唑啉
英文名称:
2-Pyrazoline
中文别名:
2-吡唑啉;
2-吡唑烷
英文别名:
2-Pyrazoline;
2-PYRAZOLINE;
4,5-dihydro-1H-pyrazole
精确分子量/精确质量:
70.05310
极性分子表面积/PSA:
24.39000
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:
MFCD00009248
EINECS:
203-725-2
InChI:
The Key: MCGBIXXDQFWVDW-UHFFFAOYSA-N

生产制备方法及用途展开↓

制备方法


在温和的氧化条件下,可脱氢成吡唑。在催化热裂化下失去氮原子成环丙烷。在高压催化还原作用下,可制备1,3-丙二胺。由乙烷和重氮甲烷作用而制得。

合成制备方法


在温和的氧化条件下,可脱氢成吡唑。在催化热裂化下失去氮原子成环丙烷。在高压催化还原作用下,可制备1,3-丙二胺。由乙烷和重氮甲烷作用而制得。

用途简介


主要用于制荧光增白剂,由它制得的各种荧光增白剂用于毛、丝和锦纶的增白,腈纶原浆着色以及分散染料、阳离子染料型腈纶的增白。吡唑啉的季铵盐用作除草剂。

用途


主要用于制荧光增白剂,由它制得的各种荧光增白剂用于毛、丝和锦纶的增白,腈纶原浆着色以及分散染料、阳离子染料型腈纶的增白。吡唑啉的季铵盐用作除草剂。

物化性质展开↓

密度:
1.02 g/cm3
沸点:
144ºC
其它信息:

1.      性状:具有氨味的无色液体

2.      密度g/mL,17℃):1.02

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):未确定

5.      沸点(ºC,常压):144

6.      沸点(ºC, kPa):未确定

7.      折射率:1.4796

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, ºC):未确定

12.   饱和蒸气压(kPa,ºC):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:溶于水及乙醇

安全信息展开↓

海关代码:
2933199090
危险类别码:
10
安全说明:
16

合成路线查看所有的合成路线

  • 186581-53-3

    重氮甲烷

  • +

  • 54509-73-8

    ethene

  • 109-98-8

    2-吡唑啉

  • 107-02-8

    丙烯醛

  • 109-98-8

    2-吡唑啉

  • 288-13-1

    吡唑

  • 109-98-8

    2-吡唑啉

化学图谱

  1. 2-吡唑啉红外图谱(IR1)

  2. 2-吡唑啉质谱(MS)

  3. 2-吡唑啉核磁图(13CNMR)

  4. 2-吡唑啉核磁图(1HNMR)

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MSDS 展开↓


Section I.Chemical Product and Company Identification
    Chemical Name 2-Pyrazoline
    Portland OR
    Synonym        Not available.    
    Chemical Formula        C3H6N2    
    CAS Number        109-98-8    

Section II.        Composition and Information on Ingredients    
    Chemical Name        CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    2-Pyrazoline        109-98-8        ----- Not available.        Not available.    

Section III. Hazards Identification
    Acute Health Effects        No specific information is available in our data base regarding the toxic effects of this material for humans. However,    
    exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
    inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
    this compound.
    CARCINOGENIC EFFECTS : Not available.
    Chronic Health Effects
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    Toxicity to the reproductive system: Not available.
    There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is
    not known to aggravate existing medical conditions.

Section IV.        First Aid Measures    
    Eye Contact        Check for and remove any contact lenses. DO NOT use an eye ointment. Flush eyes with running water for a minimum    
    of 15 minutes, occasionally lifting the upper and lower eyelids. Seek medical attention. Treat symptomatically and
    supportively.
    Skin Contact
    If the chemical gets spilled on a clothed portion of the body, remove the contaminated clothes as quickly as possible,
    protecting your own hands and body. Place the victim under a deluge shower. If the chemical touches the victim's
    exposed skin, such as the hands: Gently and thoroughly wash the contaminated skin with running water and non-abrasive
    soap. Be particularly careful to clean folds, crevices, creases and groin. Cover the irritated skin with an emollient. Seek
    medical attention. Treat symptomatically and supportively. Wash any contaminated clothing before reusing.
    Inhalation        If the victim is not breathing, perform artificial respiration. Loosen tight clothing such as a collar, tie, belt or waistband. If    
    breathing is difficult, oxygen can be administered. Seek medical attention. Treat symptomatically and supportively.
    Ingestion        Remove dentures if any. Have conscious person drink several glasses of water or milk. INDUCE VOMITING by sticking    
    finger in throat. Lower the head so that the vomit will not reenter the mouth and throat. NEVER give an unconscious
    person anything to ingest. Seek medical attention. Treat symptomatically and supportively.

Section V. Fire and Explosion Data
    Not available.
    Flammability        Combustible.        Auto-Ignition    
    Flammable Limits
    Flash Points        Not available.    
    Not available.
    Combustion Products        These products are toxic carbon oxides (CO, CO 2), nitrogen oxides (NO, NO2).    
    Fire Hazards
    No specific information is available regarding the flammability of this compound in the presence of various materials.
    Explosion Hazards        Risks of explosion of the product in presence of mechanical impact: Not available.    
    Risks of explosion of the product in presence of static discharge: Not available.
    No additional information is available regarding the risks of explosion.
    Fire Fighting Media
    SMALL FIRE: Use DRY chemicals, CO 2, water spray or foam.
    and Instructions        LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.    
    Continued on Next Page
    109-98-8erra

Section VI.        Accidental Release Measures    
    Spill Cleanup        Combustible material.    
    Instructions        Keep away from heat and sources of ignition. Mechanical exhaust required. Stop leak if without risk. Absorb with an    
    inert material and put the spilled material in an appropriate waste disposal. Finish cleaning the spill by rinsing any
    contaminated surfaces with copious amounts of water.

Section VII. Handling and Storage
    Handling and Storage        Keep away from heat and sources of ignition. Mechanical exhaust required. When not in use, tightly seal the container    
    and store in a dry, cool place. Avoid excessive heat and light. Do not breathe gas, fumes, vapor or spray. In case of
    Information
    insufficient ventilation, wear suitable respiratory equipment. If you feel unwell, seek medical attention and show the label
    when possible. Treat symptomatically and supportively. Avoid contact with skin and eyes.
    Always store away from incompatible compounds such as oxidizing agents.

Section VIII. Exposure Controls/Personal Protection
    Engineering Controls        Provide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their    
    respective threshold limit value. Ensure that eyewash station and safety shower is proximal to the work-station location.
    Personal Protection        Splash goggles. Lab coat. Vapor respirator. Boots. Gloves. A MSHA/NIOSH approved respirator must be used to avoid    
    inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling
    this product.
    Exposure Limits        Not available.    

Section IX. Physical and Chemical Properties
    Liquid.        Solubility    
    Physical state @ 20°C        Not available.    
    1.02
    Specific Gravity
    Molecular Weight        70.09        Partition Coefficient        Not available.    
    Boiling Point
    144°C (291.2°F)        Vapor Pressure        Not available.    
    Melting Point        Not available.        Vapor Density        Not available.    
    Refractive Index        Not available.        Volatility        Not available.    
    Critical Temperature        Not available.        Odor        Not available.    
    Viscosity        Not available.        Taste        Not available.    

Section X.        Stability and Reactivity Data    
    Stability    
This material is stable if stored under proper conditions. (See Section VII for instructions)    
    Conditions of Instability        Avoid excessive heat and light.    
    Incompatibilities
    Slightly reactive to reactive with oxidizing agents.

Section XI. Toxicological Information
    RTECS Number        Not available.    
    Ingestion. Inhalation.
    Routes of Exposure
    Toxicity Data        Not available.    
    No additional remark.
    CARCINOGENIC EFFECTS : Not available.
    Chronic Toxic Effects
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    Toxicity to the reproductive system: Not available.
    There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is not
    known to aggravate existing medical conditions.
    Acute Toxic Effects        No specific information is available in our data base regarding the toxic effects of this material for humans. However,    
    exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if
    inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling
    this compound.
    Continued on Next Page
    2-Pyrazoline

Section XII.        Ecological Information    
    Ecotoxicity        Not available.    
    Environmental Fate        Not available.    

Section XIII. Disposal Considerations
    Recycle to process, if possible. Consult your local or regional authorities. You may be able to dissolve or mix material with
    Waste Disposal
    a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
    federal, state, and local regulations when disposing of this substance.

Section XIV. Transport Information
    DOT Classification        Not a DOT controlled material (United States).    
    PIN Number        NONE    
    Proper Shipping Name
    NONE
    Packing Group (PG)        NONE    
    DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40    
    CFR 720.36 (C) for those products not on the inventory list:
    (EPA)
    (i) These products are supplied solely for use in research and development by or under the supervision of a technically
    qualified individual as defined in 40 CFR 720.0 et sec.
    (ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
    supplied on an MSDS sheet.
    WHMIS Classification        Not controlled under WHMIS (Canada).    
    (Canada)
    EINECS Number (EEC) Not available.
    EEC Risk Statements        Not controlled under DSCL (Europe).    


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↓

分子结构数据


五、分子性质数据:

1、   摩尔折射率:19.92

2、   摩尔体积(m3/mol):60.8

3、   等张比容(90.2K):154.8

4、   表面张力(dyne/cm):41.8

5、   极化率10-24cm3):7.89

计算化学数据


1.疏水参数计算参考值(XlogP):-0.2

2.氢键供体数量:1

3.氢键受体数量:2

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积24.4

7.重原子数量:5

8.表面电荷:0

9.复杂度:48.9

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

上下游相关产品

上游产品

更多
  • 288-13-1

    吡唑

  • 107-02-8

    丙烯醛

  • 186581-53-3

    重氮甲烷

  • 54509-73-8

    CAS号:54509-73-8

下游产品

更多
  • 288-13-1

    吡唑

  • 802982-86-1

    benzyl 3,4-dihydropyrazole-2-carboxylate

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