8-甲基-8-氮杂双环[3.2.1]辛-3-醇

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品
  • 下游产品

8-甲基-8-氮杂双环[3.2.1]辛-3-醇 基本信息

中文名称:
8-甲基-8-氮杂双环[3.2.1]辛-3-醇 
中文别名:
beta-托品醇;
假托品;
3-羟基莨菪烷;
8-甲基-8-氮杂双环[3.2.1]-3-辛烷醇 
英文名称:
Pseudotropine
英文别名:
pseudotropine;
3-exo-8-Methyl-8-azabicyclo[3.2.1]octan-3-ol;
3-Pseudotropanol;
Pseudotropine 
CAS No.:
135-97-7
分 子 式:

C8H15NO

分 子 量:
141.21
精确分子量:
141.11500
PSA:
23.47000
EINECS:
205-226-5
InChI:
InChI=1/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8-
危险品标志:

 

风险术语:

 

安全术语:

 

分子结构式:
SDS:
查看

8-甲基-8-氮杂双环[3.2.1]辛-3-醇 制备方法及用途

用途

用作医药中间体。

8-甲基-8-氮杂双环[3.2.1]辛-3-醇 物化性质

外观与性状:
白色结晶粉末
密度:
1.078 g/cm3
沸点:
233ºC at 760 mmHg
闪点:
112.5ºC
折射率:
1.526
蒸汽压:
0.011mmHg at 25°C

8-甲基-8-氮杂双环[3.2.1]辛-3-醇 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YM3875010
CHEMICAL NAME :
1-alpha-H,5-alpha-H-Tropan-3-beta-ol
CAS REGISTRY NUMBER :
135-97-7
BEILSTEIN REFERENCE NO. :
0080189
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C8-H15-N-O
MOLECULAR WEIGHT :
141.24

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
280 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ANCPAC Annales de Chimie. (Masson et Cie, Paris, France) V.9-15, 1914-77. Volume(issue)/page/year: 7,537,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>50 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ANCPAC Annales de Chimie. (Masson et Cie, Paris, France) V.9-15, 1914-77. Volume(issue)/page/year: 7,537,1962

8-甲基-8-氮杂双环[3.2.1]辛-3-醇 MSDS

  Material Safety Data Sheet

Section 1. Identification of the substance
    Product Name:      Pseudotropanol    
    Synonyms:        Exo-8-Methyl-8-azabicyclo[3.2.1]octan-3-ol    

Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
    Ingredient name:        Pseudotropanol    
    CAS number:        135-97-7    

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    
    flushing of the eyes by separating the eyelids with fingers. 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 fighting measures
    In the event of a fire 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 qualified    
    in the handling and use of potentially hazardous chemicals, who should take into account the fire,
    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 specified    
    Boiling point:        No data    
    No data
    Melting point:
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C8H15NO    
    Molecular weight:        141.2    

Section 10. Stability and reactivity
    Conditions to avoid: Heat, flames 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

8-甲基-8-氮杂双环[3.2.1]辛-3-醇 分子结构与计算化学数据

分子结构数据

1、  摩尔折射率:40.19

2、  摩尔体积(cm3/mol):130.9

3、  等张比容(90.2K):328.5

4、  表面张力(dyne/cm):39.5

5、  极化率(10-24cm3):15.93

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