16535-89-0

(3-羟基-1-甲基异喹啉,1-Methyl-2H-isoquinolin-3-one)
3-羟基-1-甲基异喹啉结构式图片|16535-89-0结构式图片
3-羟基-1-甲基异喹啉
1-Methyl-2H-isoquinolin-3-one
16535-89-0
C10H9NO
159.18456
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:3-羟基-1-甲基异喹啉结构式
3-羟基-1-甲基异喹啉MOL
3242031

名称和标识符

MDLMFCD11053887
InChIKeyWZERFHYFSWMIRV-UHFFFAOYSA-N
InchiInChI=1S/C10H9NO/c1-7-9-5-3-2-4-8(9)6-10(12)11-7/h2-6H,1H3,(H,11,12)
SMILESCC1=NC(=CC2=CC=CC=C12)O

别名信息

- 中文别名 -

  • 3-羟基-1-甲基异喹啉
  • 1-甲基异喹啉-3-醇

- 英文别名 -

  • 1-Methylisoquinolin-3-ol
  • 3-Hydroxy-1-methylisoquinoline
  • 1-methyl-2H-isoquinolin-3-one
  • 1-methyl-3-hydroxyisoquinoline
  • 3-Hydroxy-1-methylisochinolin
  • MFCD10700069
  • BS-21668
  • SCHEMBL16740896
  • 36073-91-3
  • HMS3314E10
  • MLS000085510
  • HMS2172O14
  • MFCD11053887
  • CHEMBL1487670
  • 1-Methylisoquinolin-3(2H)-one
  • 16535-89-0
  • CS-0212587
  • AKOS006343994
  • DTXSID60390535
  • AKOS001683474
  • WZERFHYFSWMIRV-UHFFFAOYSA-N
  • SCHEMBL1564340
  • 1-methyl-3-isoquinolone
  • SMR000020445
  • 1-methylisoquinolin-3-ol
  • 3(2H)-Isoquinolinone, 1-methyl-
  • 3-hydroxy-1-methylisoquinoline
  • G73567
  • 1-METHYLISOQUINOLIN-3-OL

物化性质

实验特性

LogP1.83650
PSA32.86000

计算特性

精确分子量159.06800
氢键供体数量1
氢键受体数量2
可旋转化学键数量0
同位素质量159.068413911g/mol
重原子数量12
复杂度356
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
拓扑分子极性表面积29.1Ų

专业数据库参考

PubChemId3242031

3-羟基-1-甲基异喹啉 MSDS

基础信息

  Material Safety Data Sheet

Section 1. Identi?cation of the substance
    Product Name:      1-Methylisoquinolin-3-ol    
    Synonyms:        3-Hydroxy-1-methylisoquinoline; 1-methyl-2h-isoquinolin-3-one    

Section 2. Hazards identi?cation
    Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
    Ingredient name:        1-Methylisoquinolin-3-ol    
    CAS number:        16535-89-0    

Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing    
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate    
    ?ushing of the eyes by separating the eyelids with ?ngers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.    
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.    

Section 5. Fire ?ghting measures
    In the event of a ?re involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.

Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator    
    Hand precaution:        Wear suitable gloves/gauntlets    
    Skin protection:        Wear suitable protective clothing    
    Eye protection:        Wear suitable eye protection    
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.

Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly quali?ed    
    in the handling and use of potentially hazardous chemicals, who should take into account the ?re,
    health and chemical hazard data given on this sheet.
    Store in closed vessels.
    Storage:

Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section 9. Physical and chemical properties
    Appearance:        Not speci?ed    
    Boiling point:        No data    
    No data
    Melting point:
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C10H9NO    
    Molecular weight:        159.2    

Section 10. Stability and reactivity
    Conditions to avoid: Heat, ?ames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

Section 11. Toxicological information
    No data.

Section 12. Ecological information
    No data.

Section 13. Disposal consideration
    Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
    disposal authority, in accordance with national and regional regulations.

Section 14. Transportation information
    Non-harzardous for air and ground transportation.

Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A
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