5071-61-4 (5-苯基-1H-吡唑-3-羧酸,3-Phenyl-1H-pyrazole-5-carboxylic acid)

CAS号:
5071-61-4
中文名称:
5-苯基-1H-吡唑-3-羧酸
英文名称:
3-Phenyl-1H-pyrazole-5-carboxylic acid
分子式:
C10H8N2O2
分子量:
188.182722091675

5-苯基-1H-吡唑-3-羧酸(5071-61-4)名称与标识符

名称

中文别名:
3-苯基吡唑-5-甲酸水合物;3-苯基吡唑-5-羧酸水合物;3-Phenylpyrazole-5-carboxylic Acid Hydrate 3-苯基吡唑-5-羧酸水合物;3-苯基-1H-吡唑-5-羧酸;5-苯基-1H-吡唑-3-羧酸;
英文别名:
1H-Pyrazole-3-carboxylicacid, 5-phenyl-;3-Phenylpyrazole-5-carboxylic Acid Hydrate;3-PHENYL-1H-PYRAZOLE-5-CARBOXYLIC ACID;5-phenyl-1H-Pyrazole-3-carboxylic acid;5-phenyl-1H-pyrazole-3-carboxylic acid(SALTDATA: FREE);5-Phenyl-4H-Pyrazole-3-Carboxylic Acid;3-Phenylpyrazole-5-carboxylic acid;5-Phenyl-2H-pyrazole-3-carboxylic acid;1H-Pyrazole-3-carboxylic acid, 5-phenyl-;Pyrazole-5-carboxylic acid, 3-phenyl-;Pyrazole-3-carboxylic acid, 5-phenyl-;1H-Pyrazole-5-carboxylicacid, 3-phenyl-;QBPUOAJBMXXBNU-UHFFFAOYSA-N;SMR000124836;5-Phenyl-1H-pyrazole-3-carboxylicacid;3-Phenyl-1H-pyrazole-5-carboxylic acid, 97%;P2021;BRN 0609874;FS-1871;DTXSID60150398;J-513035;5-phenyl-3-pyrazole carboxylic acid;SR-01000597145-1;SCHEMBL69492;AKOS005485835;5-PHENYL-PYRAZOLE-3-CARBOXYLIC ACID;KUC107418N;MLS000067411;EU-0099922;FT-0678418;KSC-20-088;1134-49-2;MFCD05170017;CHEBI:92735;5-Phenyl-1H-pyrazole-3-carboxylic acid #;CS-W022423;AKOS000271465;BB 0219050;AKOS000263428;F0348-3292;MLS003585704;HMS2206M19;CCG-202902;AB08419;FT-0713944;2-Bromo-2,6-difluoroacetophenone;A871479;3-(phenyl)-1H-pyrazole-5-carboxylic acid;HMS3356K22;5071-61-4;AC-26517;CHEMBL397785;MLS001065888;5-Phenyl-1H-pyrazole-3-carboxylic acid, AldrichCPR;5-Phenylpyrazole-3-carboxylic acid;AS-82144;SY004192;Q27164500;PS-3041;AB00463493-03;BDBM50241312;Z104442688;J-002966;NCGC00342274-01;AMY11889;F52631;AB01334874-02;J-517915;HMS1648H01;SR-01000597145;MFCD01248821;EN300-14809;STK560194;DB-071246;3-phenyl-1H-pyrazol-2-ium-5-carboxylate;STK387518;ALBB-006580;

标识符

MDL:
MFCD05170017
InChIKey:
QBPUOAJBMXXBNU-UHFFFAOYSA-N
Inchi:
1S/C10H8N2O2/c13-10(14)9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)
SMILES:
OC(C1=CC(C2C=CC=CC=2)=NN1)=O
BRN:
0609874

5-苯基-1H-吡唑-3-羧酸(5071-61-4)物化性质

实验特性

  • LogP : 0.19120
  • PSA : 62.02000
  • 折射率 : 1.645
  • 沸点 : 496.5℃ at 760 mmHg
  • 熔点 : 238-242 °C (dec.)(lit.)
  • 闪点 : 254.1℃
  • 密度 : 1.355±0.06 g/cm3 (20 ºC 760 Torr)

计算特性

  • 精确分子量 : 188.05900
  • 氢键供体数量 : 2
  • 氢键受体数量 : 3
  • 可旋转化学键数量 : 2
  • 同位素质量 : 188.059
  • 重原子数量 : 14
  • 复杂度 : 214
  • 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) : 1.7
  • 拓扑分子极性表面积 : 66

5-苯基-1H-吡唑-3-羧酸(5071-61-4)安全信息

5-苯基-1H-吡唑-3-羧酸(5071-61-4)推荐厂家 更多厂家(29)

公司名称手机号/电话联系人QQ微信询单
上海瀚思化工有限公司 18939883912
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上海绩祥生物科技有限公司 13093077543陆经理 3985448220
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铼博(上海)生化科技有限公司 13311756052
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铼博(上海)生化科技有限公司 13311756052
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上海一基实业有限公司 13311756052
021-60526763 13311756052 13311756131
胡经理 2355265332
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上海一基实业有限公司 13311756131
021-60548336 QQ:2355265332 QQ:2851717387
胡经理 2355265332
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江苏润丰合成科技有限公司 18662931390
0513-66017679
蔡经理 507167383 询单
金锦乐(湖南)化学有限公司 金锦乐 1226360695
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上海腾准生物科技有限公司 19821570922
021-34053661
张经理 3003871136
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上海依赫生物科技有限公司 17721395025
021-68882955
张经理 2423903095
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5-苯基-1H-吡唑-3-羧酸(5071-61-4)相关文献

5-苯基-1H-吡唑-3-羧酸(5071-61-4)参考资料

Reaxys RN:
609874
Beilstein:
P160448
PubChem CID:

5-苯基-1H-吡唑-3-羧酸(5071-61-4) MSDS

基础信息

  3-Phenylpyrazole-5-carboxylic Acid Hydrate      Revision number: 5    
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        3-Phenylpyrazole-5-carboxylic Acid Hydrate    
    
  Revision number:        5    

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS        Not classified    
    Not classified
  HEALTH HAZARDS
  ENVIRONMENTAL HAZARDS        Not classified    
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols        None    
    No signal word
  Signal word
  Hazard statements        None    
    None
  Precautionary statements:

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        3-Phenylpyrazole-5-carboxylic Acid Hydrate    
  Percent:        >97.0%(LC)(T)    
  CAS Number:        5071-61-4    
  Chemical Formula:        C10H8N2O2·xH2O    

Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.    
    Get medical advice/attention if you feel unwell.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Rinse skin with    
    water/shower. If skin irritation or rash occurs: Get medical advice/attention.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present    
    and easy to do. Continue rinsing. If eye irritation persists: Get medical
    advice/attention.
  Ingestion:        Get medical advice/attention if you feel unwell. Rinse mouth.    
    A rescuer should wear personal protective equipment, such as rubber gloves and air-
  Protection of first-aiders:
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, water spray, carbon dioxide.    
  media:
  Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
  from the chemical:        generate poisonous fume.    

Section 5. FIRE-FIGHTING MEASURES
  Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Remove movable
    containers if safe to do so.
  Special protective        When extinguishing fire, be sure to wear personal protective equipment.    
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
    Use personal protective equipment. Keep people away from and upwind of spill/leak.
  Personal precautions,
  protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
  emergency procedures: roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
  containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
  up: appropriate laws and regulations.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
    Handling is performed in a well ventilated place. Wear suitable protective equipment.
  Technical measures:
    Prevent dispersion of dust. Wash hands and face thoroughly after handling.
    Use a local exhaust if dust or aerosol will be generated.
  Advice on safe handling: Avoid contact with skin, eyes and clothing.
  Conditions for safe storage, including any
  incompatibilities
  Storage conditions:        Keep container tightly closed. Store in a cool and dark place.    
    Store away from incompatible materials such as oxidizing agents.
  Packaging material:        Comply with laws.    

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
    Install a closed system or local exhaust as possible so that workers should not be
  Engineering controls:
    exposed directly. Also install safety shower and eye bath.
  Personal protective equipment
  Respiratory protection: Dust respirator. Follow local and national regulations.
  Hand protection:        Protective gloves.    
  Eye protection:        Safety glasses. A face-shield, if the situation requires.    
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Solid    
  Form:        Crystal- Powder    
  Colour:        White - Slightly pale yellow    
  Odour:        No data available    
  pH: No data available
  Melting point/freezing point:233°C (dec.)
    No data available
  Boiling point/range:
  Flash point:        No data available    
  Flammability or explosive
  limits:
    No data available
  Lower:
  Upper:        No data available    
    No data available
  Relative density:
  Solubility(ies):
    No data available
  [Water]
  [Other solvents]        No data available    
    2.06
  Log Pow:

Section 10. STABILITY AND REACTIVITY
  Chemical stability:        Stable under proper conditions.    
  Possibility of hazardous No special reactivity has been reported.
  reactions:
  Incompatible materials: Oxidizing agents
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx)
  products:

Section 11. TOXICOLOGICAL INFORMATION
    ipr-mus LDLo:1 g/kg
  Acute Toxicity:
  Skin corrosion/irritation: No data available
    No data available
  Serious eye
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
  IARC =        No data available    
  NTP =        No data available    
    No data available
  Reproductive toxicity:
  RTECS Number:        UQ6437000    

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available    
  Crustacea:        No data available    
  Algae:        No data available    
  Persistence / degradability: No data available
  Bioaccumulative        No data available    
  potential(BCF):
  Mobility in soil
    2.06
  Log Pow:
  Soil adsorption (Koc):        No data available    
  Henry's Law        No data available    
  constant(PaM3/mol):

Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
    with 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 the substance.

Section 14. TRANSPORT INFORMATION
    Does not correspond to the classification standard of the United Nations
  Hazards Class:
  UN-No:        Not listed    

Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
  and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
    loading and unloading were prescribed.


SECTION 16 - ADDITIONAL INFORMATION
N/A