7081-38-1 (羟保泰松,Oxyphenbutazone Hydrate)

CAS号:
7081-38-1
中文名称:
羟保泰松
英文名称:
Oxyphenbutazone Hydrate
分子式:
C19H22N2O4
分子量:
342.388985157013
简介:
羟基保泰松的别名:坦特利尔 。
2017年10月27日,世界卫生组织国际癌症研究机构公布的致癌物清单初步整理参考,羟基保泰松在3类致癌物(对人类致癌性尚未归类
)清单中。

羟保泰松(7081-38-1)名称与标识符

名称

中文别名:
羟基保泰松;羟基保泰松 标准品;羟基保泰松(药典标准品);一水合羟基保泰松;一水合羟基保泰松标准品;羟保泰松;
英文别名:
3,5-Pyrazolidinedione,4-butyl-1-(4-hydroxyphenyl)-2-phenyl-, hydrate (1:1);OXYPHENBUTAZONE;Oxyphenbutazone Hydrate;oxyphenbutazon monohydrate;OXYPHENBUTAZONE MONOHYDRATE;OXYPHENYL BUTAZONE MONOHYDRATE;Unii-H806S4B3ns;OXYPHENBUTAZONE MONOHYDRATE [MI];1,2-Ethanediamine, N1-(2,4-dinitrophenyl)-;4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione--water (1/1);Tandearil (TN);4-Butyl-1-(4-hydroxyphenyl)-2-phenyl-3,5-pyrazolidinedione monohydrate; 4-Butyl-1-(p-hydroxyphenyl)-2-phenyl-3,5-pyrazolidinedione monohydrate; 1-(p-Hydroxyphenyl)-2-phenyl-4-butyl-3,5-pyrazolidinedione monohydrate; Oxyphenbutazone monohydrate; Tandearil monohydrate;(+/-)-OXYPHENBUTAZONE MONOHYDRATE;4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione;hydrate;CHEBI:76259;AKOS024374977;NSC-757261;Phlogistol;OXYPHENBUTAZONE MONOHYDRATE, (+/-)-;NSC 757261;CNDQSXOVEQXJOE-UHFFFAOYSA-N;CHEMBL3989676;3,5-PYRAZOLIDINEDIONE, 4-BUTYL-1-(4-HYDROXYPHENYL)-2-PHENYL-, HYDRATE (1:1);Phlogase;Oxyphenbutazone [USP:INN:BAN];DTXSID90991079;3,5-Pyrazolidinedione, 4-butyl-1-(4-hydroxyphenyl)-2-phenyl-, monohydrate;SCHEMBL25854;CS-0013098;OXYPHENBUTAZONE [VANDF];Q27145838;H806S4B3NS;4-Butyl-1-(4-hydroxyphenyl)-2-phenyl-3,5-pyrazolidinedione monohydrate;D05319;7081-38-1;Oxyphenbutazone (monohydrate);4-Butyl-1-(p-hydroxyphenyl)-2-phenyl-3,5-pyrazolidinedione monohydrate;OXYPHENBUTAZONE [IARC];4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione hydrate;76576-51-7;OXYPHENBUTAZONE [ORANGE BOOK];HY-B1355;DA-76525;

标识符

InChIKey:
CNDQSXOVEQXJOE-UHFFFAOYSA-N
Inchi:
1S/C19H20N2O3.H2O/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15;/h4-8,10-13,17,22H,2-3,9H2,1H3;1H2
SMILES:
O=C1C(C(N(C2C=CC=CC=2)N1C1C=CC(=CC=1)O)=O)CCCC.O

羟保泰松(7081-38-1)物化性质

实验特性

  • LogP : 3.55910
  • PSA : 70.08000
  • 沸点 : 485.6°C at 760 mmHg
  • 熔点 : 96°; mp 124-125°
  • 闪点 : 247.5°C

计算特性

  • 精确分子量 : 342.15800
  • 氢键供体数量 : 2
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 5
  • 同位素质量 : 342.157957
  • 重原子数量 : 25
  • 复杂度 : 454
  • 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 : 1
  • 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 : 2
  • 拓扑分子极性表面积 : 61.8

羟保泰松(7081-38-1)推荐厂家 更多厂家(5)

公司名称手机号/电话联系人QQ微信询单
上海源叶生物科技有限公司 15026964105
15026964105
汤思磊 2881489226
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上海甄准生物科技有限公司 13816009161
021-68920155
姜经理13816009161 3001086693
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上海甄准生物科技有限公司 13816009161
021-68920155
姜经理13816009161 3001086693
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湖北实兴化工有限公司 18086426449石小姐 1273554433
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深圳市中发源生物科技有限公司 18129803827
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林小姐 3158423203
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羟保泰松(7081-38-1)相关文献

羟保泰松(7081-38-1) MSDS

基础信息

    Version 1.2
    Regulation (EC) No 1907/2006

    1 - Product and Company Information

    Product Name        OXYPHENBUTAZONE HYDRATE    

    2 - Hazards Identification

    SPECIAL INDICATION OF HAZARDS TO HUMANS AND THE ENVIRONMENT
    Harmful if swallowed. Irritating to eyes and skin. Limited
    evidence of a carcinogenic effect. May cause sensitization by
    inhalation and skin contact.

    3 - Composition/Information on Ingredients

    Product Name        CAS #        EC no        Annex I    
    Index Number
    OXYPHENBUTAZONE HYDRATE        7081-38-1 None        None    
    Formula        C19H20N2O3    
    Molecular Weight 324,4000 AMU

    4 - First Aid Measures

    AFTER INHALATION
    If inhaled, remove to fresh air. If not breathing give
    artificial respiration. If breathing is difficult, give oxygen.
    AFTER INGESTION
    If swallowed, wash out mouth with water provided person is
    conscious. Call a physician.

    5 - Fire Fighting Measures

    EXTINGUISHING MEDIA
    Suitable: Water spray. Appropriate foam.
    SPECIAL PROTECTIVE EQUIPMENT FOR FIREFIGHTERS
    Wear self-contained breathing apparatus and protective clothing
    to prevent contact with skin and eyes.

    6 - Accidental Release Measures
    SIGMA        www.molbase.com    

    PROCEDURE(S) OF PERSONAL PRECAUTION(S)
    Wear self-contained breathing apparatus, rubber boots, and heavy
    rubber gloves.
    METHODS FOR CLEANING UP
    Sweep up, place in a bag and hold for waste disposal. Avoid
    raising dust. Ventilate area and wash spill site after material
    pickup is complete.

    7 - Handling and Storage

    HANDLING
    Directions for Safe Handling: Do not breathe dust. Do not get in
    eyes, on skin, on clothing. Avoid prolonged or repeated exposure.
    STORAGE
    Conditions of Storage: Keep tightly closed. Store in a cool dry
    place.
    Store at 2-8°C

    8 - Exposure Controls / Personal Protection

    ENGINEERING CONTROLS
    Safety shower and eye bath. Mechanical exhaust required.
    GENERAL HYGIENE MEASURES
    Wash thoroughly after handling. Wash contaminated clothing before
    reuse.
    PERSONAL PROTECTIVE EQUIPMENT
    Special Protective Measures: Wear appropriate government approved
    respirator, chemical-resistant gloves, safety goggles, other
    protective clothing.

    9 - Physical and Chemical Properties

    Appearance        Physical State: Solid    
    Property        Value        At Temperature or Pressure    
    pH        N/A    
    BP/BP Range        N/A    
    MP/MP Range        N/A    
    Flash Point        N/A    
    Flammability        N/A    
    Autoignition Temp        N/A    
    Oxidizing Properties        N/A    
    Explosive Properties        N/A    
    Explosion Limits        N/A    
    Vapor Pressure        N/A    
    Partition Coefficient        N/A    
    Viscosity        N/A    
    Vapor Density        N/A    
    Saturated Vapor Conc.        N/A    
    Evaporation Rate        N/A    
    Bulk Density        N/A    
    Decomposition Temp.        N/A    
    Solvent Content        N/A    
    Water Content        N/A    
    SIGMA        www.molbase.com    
    Surface Tension        N/A    
    Conductivity        N/A    
    Miscellaneous Data        N/A    
    Solubility        N/A    

    10 - Stability and Reactivity

    STABILITY
    Stable: Stable.
    HAZARDOUS DECOMPOSITION PRODUCTS
    Hazardous Decomposition Products: Carbon monoxide, carbon dioxide,
    and nitrogen oxides.
    HAZARDOUS POLYMERIZATION
    Hazardous Polymerization: Will not occur

    11 - Toxicological Information

    SENSITIZATION
    Sensitization: May cause allergic reaction.
    SIGNS AND SYMPTOMS OF EXPOSURE
    To the best of our knowledge, the chemical, physical, and
    toxicological properties have not been thoroughly investigated.
    Fever, sore throat, lesions in the mouth, symptoms of anemia,
    unusual bleeding or bruising, dyspepsia, epigastric pain, black
    or tarry stools or other evidence of intestinal ulceration, skin
    rashes, significant weight gain, edema, optic neuritis,
    superficial ulceration of the cornea, conjunctivitis, blurred
    vision, retinal hemorrhage, toxic amblyopia, retina detachment,
    agranulocytosis, aplastic anemia, liver and kidney damage.
    Stomach pains, vomiting, diarrhea. Exposure can cause:
    ROUTE OF EXPOSURE
    Skin Absorption: May be harmful if absorbed through the skin.
    Inhalation: May be harmful if inhaled. Material may be
    irritating to mucous membranes and upper respiratory tract.
    Ingestion: Harmful if swallowed.
    Multiple Routes: Causes eye and skin irritation.
    TARGET ORGAN INFORMATION
    Thyroid. Liver. Kidneys. Bone marrow. G.I. System. Blood.

    12 - Ecological Information

    No data available.

    13 - Disposal Considerations

    SUBSTANCE DISPOSAL
    Dissolve or mix the material with a combustible solvent and burn
    in a chemical incinerator equipped with an afterburner and
    scrubber. Observe all federal, state, and local environmental
    regulations.

    14 - Transport Information

    RID/ADR
    Non-hazardous for road transport.
    SIGMA        www.molbase.com    
    IMDG
    Non-hazardous for sea transport.
    IATA
    Non-hazardous for air transport.

    15 - Regulatory Information

    CLASSIFICATION AND LABELING ACCORDING TO EU DIRECTIVES
    INDICATION OF DANGER: Xn
    Harmful.
    R-PHRASES: 22-36/38-40-42/43
    Harmful if swallowed. Irritating to eyes and skin. Limited
    evidence of a carcinogenic effect. May cause sensitization by
    inhalation and skin contact.
    S-PHRASES: 22-26-36
    Do not breathe dust. In case of contact with eyes, rinse
    immediately with plenty of water and seek medical advice. Wear
    suitable protective clothing.
    Caution: Substance not yet fully tested (EU).
    COUNTRY SPECIFIC INFORMATION
    Germany
    WGK: 3
    Self-Classification

    16 - Other Information

    DISCLAIMER
    For R&D or manufacturing use. Not for prescription compound or
    other uses.
    SIGMA        www.molbase.com    


SECTION 16 - ADDITIONAL INFORMATION
N/A