3,5-二(2-吡啶基)吡唑

3,5-二(2-吡啶基)吡唑 基本信息
CAS号 129485-83-2 分子式 C13H10N4
分子量 222.24500 精确质量  222.09100
PSA  54.46000 LogP  2.53370

基本信息 展开↓

CAS号:
129485-83-2
3D弹球模型:
立即前往扯扯看
分子式:
C13H10N4
分子量:
222.24500
中文名称:
3,5-二(2-吡啶基)吡唑
英文名称:
3,5-Di(2-pyridyl)pyrazole
中文别名:
3,5-二(2-吡啶基)吡唑;
3,5-双(2-吡啶)吡唑
英文别名:
3,5-Di(2-pyridyl)pyrazole;
2-(3-pyridin-2-yl-1H-pyrazol-5-yl)pyridine
精确分子量/精确质量:
222.09100
极性分子表面积/PSA:
54.46000
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。
InChI:
The Key: IMDRKCUYKQQEAC-UHFFFAOYSA-N

物化性质展开↓

密度:
1.248g/cm3
熔点:
188ºC
沸点:
476.5ºC at 760mmHg
闪点:
270.3ºC
折射率:
1.64
蒸汽压:
8.77E-09mmHg at 25°C
其它信息:

1.        性状:未确定

2.         密度(g/mL,20):未确定

3.         相对蒸汽密度(g/mL,空气=1):未确定

4.         熔点(ºC):188

5.         沸点(ºC,常压):未确定

6.         沸点(ºC,KPa):未确定

7.         折射率: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(Pa,20ºC):未确定

12.      饱和蒸气压(KPa,20ºC):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:未确定

安全信息展开↓

海关代码:
2933990090

合成路线查看所有的合成路线

  • 129485-44-5

    129485-44-5

  • ~83%

  • 129485-83-2

    3,5-二(2-吡啶基)吡唑

  • 2459-07-6

    2-吡啶甲酸甲酯

  • 129485-83-2

    3,5-二(2-吡啶基)吡唑

  • 1122-62-9

    2-乙酰基吡啶

  • 129485-83-2

    3,5-二(2-吡啶基)吡唑

MSDS 展开↓


Section I.Chemical Product and Company Identification
    Chemical Name 3,5-Di(2-pyridyl)pyrazole
    Portland OR
    Synonym
    Not available.
    Chemical Formula
    C 13 H 10 N 4
    CAS Number
    Not available.
    (International)

Section II.        Composition and Information on Ingredients    
    Chemical Name        CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    3,5-Di(2-pyridyl)pyrazole        Min. 98.0 (T)        Not available.        Not available.    
    Not available.

Section III.        Hazards Identification    
    Acute Health Effects
    N o specific inform ation is available in our data base regarding the toxic effects of this m aterial for hum ans. H ow ever,
    exposure to any chem ical should be kept to a m inim u m . Skin and eye contact m ay result in irritation. M ay be harm ful if
    inhaled or ingested. A lw ays follow safe industrial hygiene practices and w ear proper protective equipm ent w hen
    handling this compound.
    Chronic Health Effects
    CARCINOGENIC EFFECTS : Not available.
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY : Not available.
    There is no know n effect from chronic exposure to this product.        Repeated or prolonged exposure to this com pound is    
    not known to aggravate existing medical conditions.

Section IV.        First Aid Measures    
    Eye Contact
    C heck for and rem ove any contact lenses. D O N O T use an eye ointm ent. Flush eyes w ith running w ater for a m inim um
    of 15 m inutes, occasionally lifting the upper and low er eyelids. Seek m edical attention. Treat sym ptom atically and
    supportively.
    Skin Contact
    If the chem ical gets spilled on a clothed portion of the body, rem ove the contam inated clothes as quickly as possible,
    protectin g you r ow n h an ds an d body. Place th e victim u n der a delu g e sh ow er. If th e ch em ical tou ch es th e victim 's
    exposed skin, such as the hands: G ently and thoroughly w ash the contam inated skin w ith running w ater and
    non-abrasive soap. Be particularly careful to clean folds, crevices, creases and groin. C over the irritated skin w ith an
    em ollient. Seek m edical attention. Treat sym ptom atically and supportively. W ash any contam inated clothing before
    reusing.
    Inhalation
    If the victim is not breathing, perform artificial respiration. Loosen tight clothing such as a collar, tie, belt or w aistband.
    If breathing is difficult, oxygen can be administered. Seek medical attention. Treat symptomatically and supportively.
    Ingestion
    IN D U C E V O M ITIN G by sticking finger in throat. Low er the head so that the vom it w ill not reenter the m outh and throat.
    Loosen tight clothing such as a collar, tie, belt, or w aistband. If the victim is not breathing, adm inister artificial
    respiration. Exam ine the lips and m outh to ascertain w hether the tissues are dam aged, a possible indication that the
    toxic m aterial w as ingested; the absence of such signs, how ever, is not conclusive. Seek im m ediate m edical attention
    and, if possible, show the chemical label. Treat symptomatically and supportively.

Section V.        Fire and Explosion Data    
    Auto-Ignition
    Flammability        Not available.    
    Combustible.
    Flash Points        Flammable Limits    
    Not available.
    Not available.
    Combustion Products
    These products are toxic carbon oxides (CO, CO        2), nitrogen oxides (NO, NO        2 ).    
    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
    Not a        3,5-Di(2-pyridyl)pyrazole    

Section VI.        Accidental Release Measures    
    Spill Cleanup
    In case of a spill and/or a leak, alw ays shut off any sources of ignition, ventilate the area, and exercise caution. U se a
    Instructions        shovel to put the m aterial into a convenient w aste disposal container. Finish cleaning the spill by rinsing any    
    contam inated surfaces w ith copious am ounts of w ater. C onsult federal, state, and/or local authorities for assistance on
    disposal.

Section VII.        Handling and Storage    
    Handling and Storage
    K eep aw ay from heat and sources of ignition. M echanical exhaust required. W hen not in use, tightly seal the container
    and store in a dry, cool place. A void excessive h eat and light. D O N O T breathe dust. In case of in sufficient ventilation,
    Information
    w ear suitable respiratory equipm ent. If you feel u nw ell, seek m edical attention and show the label w h en 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
    U se process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below
    recom m ended exposure lim its. If user operations generate dust, fum e or m ist, use ventilation to keep exposure to
    airborne contaminants below the exposure limit.
    Personal Protection
    Splash goggles. Lab coat.        D ust respirator. Boots. G loves. A M SH A /N IO SH approved respirator m ust be used to avoid    
    inhalation of the product.        Suggested protective clothing m ight not be sufficient; consult a specialist BEFO RE handling    
    this product.
    Exposure Limits
    Not available.

Section IX.        Physical and Chemical Properties    
    Physical state @ 20°C        Solubility    
    White needle-like crystals.
    Not available.
    Specific Gravity
    Not available.
    Molecular Weight        Partition Coefficient    
    222.25        Not available.    
    Boiling Point        Vapor Pressure    
    Not available.        Not available.    
    Melting Point        Vapor Density    
    188°C (370.4°F)        Not available.    
    Refractive Index        Volatility    
    Not available.        Not available.    
    Critical Temperature        Odor    
    Not available.        Not available.    
    Viscosity        Taste    
    Not available.        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
    Reactive with oxidizing agents.

Section XI.        Toxicological Information    
    RTECS Number
    Not available.
    Routes of Exposure
    Eye contact. Inhalation. Ingestion.
    Toxicity Data
    Not available.
    Chronic Toxic Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY : Not available.
    There is no know n effect from chronic exposure to this product.        Repeated or prolonged exposure to this com pound is    
    not known to aggravate existing medical conditions.
    Acute Toxic Effects
    N o specific inform ation is available in our data base regarding the toxic effects of this m aterial for hum ans. H ow ever,
    exposure to any chem ical should be kept to a m inim u m . Skin and eye contact m ay result in irritation. M ay be harm ful if
    inhaled or ingested. A lw ays follow safe industrial hygiene practices and w ear proper protective equipm ent w hen
    handling this compound.
    Continued on Next Page
    3,5-Di(2-pyridyl)pyrazole

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

Section XIII.        Disposal Considerations    
    Waste Disposal        Recycle to process, if possible. C onsult your local or regional authorities. You m ay be able to dissolve or m ix m aterial    
    w ith a com bustible solvent and burn in a chem ical incinerator equipped w ith 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
    Not applicable.
    Proper Shipping Name
    Not applicable.
    Packing Group (PG)
    Not applicable.
    DOT Pictograms

Section XV.        Other Regulatory Information and Pictograms    
    TSCA Chemical Inventory
    T h is p r o d u c t is NOT o n t h e E P A T o x ic S u b s t a n c e s C o n t r o l A c t (T S C A ) in v e n t o r y . T h e f o llo w in g n o t ic e s a r e r e q u ir e d b y 4 0
    (EPA)        CFR 720.36 (C) for those products not on the inventory list:    
    (i) These products are supplied solely for use in research and developm ent 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 determ ined. A ny inform ation that is or becom es available w ill
    be supplied on an MSDS sheet.
    WHMIS Classification
    Not controlled under WHMIS (Canada).
    (Canada)
    EINECS Number (EEC)
    Not available.
    EEC Risk Statements
    Not available.
    Japanese Regulatory Data Not available.

Section XVI.
    Version 1.0
    Validated on 5/16/1997.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

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%

分子结构与计算化学数据展开↓

分子结构数据


1、摩尔折射率:64.14

2、摩尔体积(cm3/mol):177.9

3、等张比容(90.2K):496

4、表面张力(dyne/cm):60.3

5、介电常数:无可用的

6、极化率(10-24cm3):25.42

7、单一同位素质量:222.090546 Da

8、标称质量:222 Da

9、平均质量:222.2453 Da

计算化学数据


1.疏水参数计算参考值(XlogP):1.5

2.氢键供体数量:1

3.氢键受体数量:3

4.可旋转化学键数量:2

5.互变异构体数量:2

6.拓扑分子极性表面积54.5

7.重原子数量:17

8.表面电荷:0

9.复杂度:246

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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