氟哌噻吨

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品
  • 下游产品

氟哌噻吨 基本信息

中文名称:
氟哌噻吨 
中文别名:
马烯雌甾酮;
氟哌噻吨 
英文名称:
Equilin
英文别名:
equilin;
(9S,13S,14S)-3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one;
1,3,5(10),7-Estratetraen-3-ol-17-one (3-Hydroxy-1,3,5(10),7-estratetraen-17-one;
1,3,5,7-Estratetraen-3-ol-17-one;
Dihydroequilenin;
7-Dehydroestrone 
CAS No.:
474-86-2
分 子 式:

C18H20O2

分 子 量:
268.35
精确分子量:
268.14600
PSA:
37.30000
EINECS:
207-488-6
InChI:
The Key: WKRLQDKEXYKHJB-UHFFFAOYSA-N
危险品标志:

HarmfulXn

风险术语:

R40;R62;R63

安全术语:

S36/37

分子结构式:
SDS:
查看

氟哌噻吨 物化性质

密度:
1.22 g/cm3
熔点:
238-240ºC(lit.)
沸点:
459.1ºC at 760 mmHg
闪点:
195.4ºC
折射率:
1.626
蒸汽压:
0mmHg at 25°C

氟哌噻吨 安全信息

危险类别码:
R40
危险标志:
Xn: Harmful;

氟哌噻吨 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
KG6650000
CHEMICAL NAME :
Estra-1,3,5(10),7-tetraen-17-one, 3-hydroxy-
CAS REGISTRY NUMBER :
474-86-2
BEILSTEIN REFERENCE NO. :
2624302
LAST UPDATED :
199709
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C18-H20-O2
MOLECULAR WEIGHT :
268.38
WISWESSER LINE NOTATION :
L E5 B666 FV JUTTT&J E1 OQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
112 mg/kg/56W-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Skin and Appendages - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Implant
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
640 mg/kg/38W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Kidney, Ureter, Bladder - Kidney tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
168 mg/kg/42W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application

MUTATION DATA

TEST SYSTEM :
Rodent - mouse
DOSE/DURATION :
400 mg/kg
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 48,14,1988

氟哌噻吨 MSDS


Section 1. Chemical Product and Company Identification
    Equilin
    Common Name/
    Trade Name
    Manufacturer
    Commercial Name(s)
    Synonym
    Chemical Name
    Chemical Family
    Equilin

Section 4. First Aid Measures
    Eye Contact        Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at    
    least 15 minutes. Get medical attention if irritation occurs.
    Skin Contact        Wash with soap and water. Cover the irritated skin with an emollient. Get medical attention if irritation develops.    
    Serious Skin Contact        Not available.    
    Inhalation        If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get    
    medical attention.
    Serious Inhalation        Not available.    
    Ingestion        Do NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an    
    unconscious person. If large quantities of this material are swallowed, call a physician immediately. Loosen tight
    clothing such as a collar, tie, belt or waistband.
    Serious Ingestion        Not available.    

Section 5. Fire and Explosion Data
    Flammability of the Product May be combustible at high temperature.
    Auto-Ignition Temperature Not available.
    Flash Points        Not available.    
    Flammable Limits        Not available.    
    Products of Combustion        These products are carbon oxides (CO, CO2).    
    Fire Hazards in Presence of Slightly flammable to flammable in presence of heat.
    Various Substances        Non-flammable in presence of shocks.    
    Explosion Hazards in Presence Slightly explosive in presence of open flames and sparks.
    Non-explosive in presence of shocks.
    of Various Substances
    SMALL FIRE: Use DRY chemical powder.
    Fire Fighting Media
    and Instructions        LARGE FIRE: Use water spray, fog or foam. Do not use water jet.    
    As with most organic solids, fire is possible at elevated temperatures
    Special Remarks on
    Fire Hazards
    Special Remarks on Explosion Fine dust dispersed in air in sufficient concentrations, and in the presence of an ignition source is a potential dust
    Hazards        explosion hazard.    

Section 6. Accidental Release Measures
    Small Spill        Use appropriate tools to put the spilled solid in a convenient waste disposal container. Finish cleaning by    
    spreading water on the contaminated surface and dispose of according to local and regional authority
    requirements.
    Large Spill        Use a shovel to put the material into a convenient waste disposal container. Finish cleaning by spreading water    
    on the contaminated surface and allow to evacuate through the sanitary system.
    Equilin

Section 7. Handling and Storage
    Precautions        Keep away from heat. Keep away from sources of ignition. Ground all equipment containing material. Do not    
    breathe dust. Wear suitable protective clothing. If you feel unwell, seek medical attention and show the label
    when possible.
    Storage        Keep container tightly closed. Keep container in a cool, well-ventilated area.    

Section 8. Exposure Controls/Personal Protection
    Engineering Controls        Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below    
    recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
    airborne contaminants below the exposure limit.
    Personal Protection        Safety glasses. Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent. Gloves.    
    Personal Protection in Case of Splash goggles. Full suit. Dust respirator. Boots. Gloves. A self contained breathing apparatus should be used
    a Large Spill        to avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist    
    BEFORE handling this product.
    Exposure Limits        Not available.    

Section 9. Physical and Chemical Properties
    Physical state and appearance Solid. (crystalline powder.)        Odor        Not available.    
    Taste        Not available.    
    Molecular Weight        268.4 g/mole    
    Color        White to yellowish.    
    pH (1% soln/water)        Not available.    
    Not available.
    Boiling Point
    Melting Point        Not available.    
    Not available.
    Critical Temperature
    Specific Gravity        Not available.    
    Vapor Pressure        Not applicable.    
    Vapor Density        Not available.    
    Volatility        Not available.    
    Odor Threshold        Not available.    
    Water/Oil Dist. Coeff.        Not available.    
    Ionicity (in Water)        Not available.    
    Dispersion Properties        Not available.    
    Solubility        Not available.    

Section 10. Stability and Reactivity Data
    The product is stable.
    Stability
    Instability Temperature        Not available.    
    Conditions of Instability        Excess heat, incompatible materials    
    Not available.
    Incompatibility with various
    substances
    Not available.
    Corrosivity
    Equilin
    Not available.
    Special Remarks on
    Reactivity
    Not available.
    Special Remarks on
    Corrosivity
    Polymerization        Will not occur.    

Section 11. Toxicological Information
    Routes of Entry        Inhalation. Ingestion.    
    Toxicity to Animals        LD50: Not available.    
    LC50: Not available.
    Chronic Effects on Humans        DEVELOPMENTAL TOXICITY: Classified Reproductive system/toxin/female, Reproductive system/toxin/male    
    [SUSPECTED].
    May cause damage to the following organs: the reproductive system.
    Other Toxic Effects on        Slightly hazardous in case of skin contact (irritant), of ingestion, of inhalation.    
    Humans
    Special Remarks on        Not available.    
    Toxicity to Animals
    Special Remarks on        May affect genetic material (mutagenic).    
    Chronic Effects on Humans        May cause cancer based on animal test data.    
    May cause adverse reproductive effects and birth defects (teratogenic)
    Special Remarks on other        Acute Potential Health Effects:    
    Toxic Effects on Humans        Skin: May cause skin irritation.    
    Eyes: May cause eye irritation.
    Inhalation: May cause respiratory tract irritation.
    Ingestion: It may cause nausea, headache, and vomiting. Acute and prolonged or repeated over exposure may
    cause gynecomastia in men. May cause menstrual irregularities in women.

Section 12. Ecological Information
    Ecotoxicity        Not available.    
    BOD5 and COD        Not available.    
    Products of Biodegradation        Possibly hazardous short term degradation products are not likely. However, long term degradation products may    
    arise.
    Toxicity of the Products        The product itself and its products of degradation are not toxic.    
    of Biodegradation
    Special Remarks on the        Not available.    
    Products of Biodegradation

Section 13. Disposal Considerations
    Waste Disposal        Waste must be disposed of in accordance with federal, state and local environmental    
    control regulations.

Section 14. Transport Information
    DOT Classification        Not a DOT controlled material (United States).    
    Not applicable.
    Identification
    Not applicable.
    Special Provisions for
    Transport
    Equilin
    DOT (Pictograms)

Section 15. Other Regulatory Information and Pictograms
    No products were found.
    Federal and State
    Regulations
    California        California prop. 65: This product contains the following ingredients for which the State of California has found    
    to cause cancer which would require a warning under the statute: No products were found.
    Proposition 65
    Warnings
    California prop. 65: This product contains the following ingredients for which the State of California has found
    to cause birth defects which would require a warning under the statute: No products were found.
    Other Regulations        OSHA: Hazardous by definition of Hazard Communication Standard (29 CFR 1910.1200).    
    EINECS: This product is on the European Inventory of Existing Commercial Chemical Substances.
    WHMIS (Canada) Not controlled under WHMIS (Canada).
    Other Classifications
    DSCL (EEC)        R40- Limited of evidence of        S22- Do not breathe dust.    
    carcinogenic effects.        S24/25- Avoid contact with skin and eyes.    
    R60- May impair fertility.
    Health Hazard
    HMIS (U.S.A.)        1 National Fire Protection    
    1 Flammability
    1 Association (U.S.A.)
    Fire Hazard
    1 0 Reactivity
    Health
    Reactivity
    0
    Specific hazard
    Personal Protection
    E
    WHMIS (Canada)
    (Pictograms)
    DSCL (Europe)
    (Pictograms)
    TDG (Canada)
    (Pictograms)
    ADR (Europe)
    (Pictograms)
    Protective Equipment
    Gloves.
    Lab coat.
    Equilin
    Dust respirator. Be sure to use an
    approved/certified respirator or
    equivalent.


SECTION 16 - ADDITIONAL INFORMATION
N/A

氟哌噻吨 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):2.9

2.氢键供体数量:1

3.氢键受体数量:2

4.可旋转化学键数量:0

5.互变异构体数量:26

6.拓扑分子极性表面积:37.3

7.重原子数量:20

8.表面电荷:0

9.复杂度:466

10.同位素原子数量:0

11.确定原子立构中心数量:3

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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