醋酸倍氟美松

醋酸倍氟美松 基本信息
CAS号 987-24-6 分子式 C24H31FO6
分子量 434.49800 精确质量 　434.21000
PSA 　100.90000 LogP 　2.46650
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等价的CAS号：

987-24-6,1177-87-3
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目录
基本信息 物化性质 安全信息 合成路线 化学图谱 MSDS 结构与计算数据 上下游

基本信息 展开↓

CAS号：
987-24-6
3D弹球模型：
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分子式：
C24H31FO6
分子量：
434.49800
中文名称：
醋酸倍氟美松
英文名称：
betamethasone acetate
中文别名：
醋酸倍氟美松;
20-二酮-21-醋酸酯;
醋酸倍他米松;
16beta-甲基-11beta,17alpha,21-三羟基-9alpha-氟-孕甾-1,4-二烯-3,20-二酮-21-醋酸酯;
9Α-氟-16Β-甲基-11Β,17Α,21-三羟基-1,4孕二烯-3,20-二酮21-醋酸;
醋酸倍他米松杂质
英文别名：
betamethasone acetate;
Betamethasone 21-acetate;
Betamethasone 21-Acetate
精确分子量/精确质量：
434.21000
极性分子表面积/PSA：
100.90000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
贝尔斯坦号/MDL：
MFCD00133141
EINECS：
213-578-6
PubChem：
24892001
InChI：
InChI=1/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17-,18-,19-,21-,22-,23-,24-/m0/s1

物化性质展开↓

密度：
1.3 g/cm3
熔点：
200-220°C (dec.)
沸点：
579.4ºC at 760 mmHg
闪点：
304.2ºC
折射率：
1.571
其它信息：

1.       性状：未确定。

2.       密度（g/mL,25/4℃）：未确定

3.       相对蒸汽密度（g/mL,空气=1）：未确定

4.       熔点（ºC）：200-220 °C

5.       沸点（ºC,常压）：未确定

6.       沸点（ºC,5.2kPa）：未确定

7.       折射率：未确定

8.       闪点（ºC）：未确定

9.       比旋光度（º）：未确定

10.    自燃点或引燃温度（ºC）：未确定

11.    蒸气压（kPa,25ºC）：未确定

12.    饱和蒸气压（kPa,60ºC）：未确定

13.    燃烧热（KJ/mol）：未确定

14.    临界温度（ºC）：未确定

15.    临界压力（KPa）：未确定

16.    油水（辛醇/水）分配系数的对数值：未确定

17.    爆炸上限（%,V/V）：未确定

18.    爆炸下限（%,V/V）：未确定

19.    溶解性：未确定

安全信息展开↓

WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R40
安全说明：
S22-S36
安全标志：
S22:不要吸入粉尘。
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
危险标志：
Xn:Harmful

合成路线查看所有的合成路线

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化学图谱

  1. 醋酸倍他米松核磁图(13CNMR)

  2. 醋酸倍他米松质谱(MS)

  3. 醋酸倍他米松红外图谱(IR1)

  4. 醋酸倍他米松红外图谱(IR2)

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MSDS 展开↓

Section 1. Chemical Product and Company Identification
    Betamethasone acetate        Catalog    
    YY1144, BE182
    Common Name/
    Number(s).
    Trade Name
    CAS#        987-24-6    
    Manufacturer
    RTECS        Not available.    
    SPECTRUM QUALITY PRODUCTS INC.
    TSCA        TSCA 8(b) inventory: No    
    products were found.
    Commercial Name(s)        Not available.    
    CI# Not available.
    Synonym        9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione    
    IN CASE OF EMERGENCY
    acetate
    Chemical Name        Not available.    
    Not available.        CALL (310) 516-8000    
    Chemical Family
    Chemical Formula        C24H31FO6    
    SPECTRUM QUALITY PRODUCTS INC.
Section 2.Composition and Information on Ingredients
    Exposure Limits
    TWA (mg/m3)        STEL (mg/m3) CEIL (mg/m3)    
    Name        CAS #        % by Weight    
    1) Betamethasone acetate        987-24-6        100    
    Toxicological Data        Not applicable.    
    on Ingredients
Section 3. Hazards Identification
    Potential Acute Health Effects Hazardous in case of ingestion. Slightly hazardous in case of skin contact (irritant), of eye contact (irritant), of
    inhalation.
    Potential Chronic Health        Hazardous in case of ingestion.    
    Effects        Slightly hazardous in case of skin contact (irritant), of eye contact (irritant), of inhalation.    
    CARCINOGENIC EFFECTS: Not available.
    MUTAGENIC EFFECTS: Not available.
    TERATOGENIC EFFECTS: Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Betamethasone acetate
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), halogenated compounds.    
    Fire Hazards in Presence of Not available.
    Various Substances
    Explosion Hazards in Presence Risks of explosion of the product in presence of mechanical impact: Not available.
    Risks of explosion of the product in presence of static discharge: Not available.
    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.    
    Not available.
    Special Remarks on
    Fire Hazards
    Special Remarks on Explosion Not available.
    Hazards
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.
    Betamethasone acetate
Section 7. Handling and Storage
    Precautions        Keep away from heat. Keep away from sources of ignition. Empty containers pose a fire risk, evaporate the    
    residue under a fume hood. Ground all equipment containing material. Do not breathe dust.
    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. (Powdered solid.)        Odor        Not available.    
    Taste        Not available.    
    Molecular Weight        434.5 g/mole    
    Color        Not available.    
    pH (1% soln/water)        Not applicable.    
    Boiling Point        Decomposes.    
    Melting Point        206.5°C (403.7°F)    
    Critical Temperature        Not available.    
    Not available.
    Specific Gravity
    Vapor Pressure        Not applicable.    
    Vapor Density        Not available.    
    Volatility        Not available.    
    Odor Threshold        Not available.    
    Not available.
    Water/Oil Dist. Coeff.
    Ionicity (in Water)        Not available.    
    See solubility in water, methanol.
    Dispersion Properties
    Solubility        Partially soluble in methanol.    
    Insoluble in cold water.
Section 10. Stability and Reactivity Data
    Stability        The product is stable.    
    Instability Temperature        Not available.    
    Conditions of Instability        Not available.    
    Incompatibility with various        Not available.    
    substances
    Corrosivity        Non-corrosive in presence of glass.    
    Betamethasone acetate
    Not available.
    Special Remarks on
    Reactivity
    Not available.
    Special Remarks on
    Corrosivity
    Polymerization        Will not occur.    
Section 11. Toxicological Information
    Routes of Entry        Ingestion.    
    Toxicity to Animals        LD50: Not available.    
    LC50: Not available.
    Chronic Effects on Humans Not available.
    Other Toxic Effects on
    Hazardous in case of ingestion.
    Humans        Slightly hazardous in case of skin contact (irritant), of inhalation.    
    Special Remarks on
    Not available.
    Toxicity to Animals
    Special Remarks on        Not available.    
    Chronic Effects on Humans
    Special Remarks on other        Not available.    
    Toxic Effects on Humans
Section 12. Ecological Information
    Ecotoxicity        Not available.    
    Not available.
    BOD5 and COD
    Possibly hazardous short term degradation products are not likely. However, long term degradation products may
    Products of Biodegradation
    arise.
    Toxicity of the Products        The products of degradation are more toxic.    
    of Biodegradation
    Special Remarks on the        Not available.    
    Products of Biodegradation
Section 13. Disposal Considerations
    Waste Disposal
Section 14. Transport Information
    DOT Classification        Not a DOT controlled material (United States).    
    Identification        Not applicable.    
    Not applicable.
    Special Provisions for
    Transport
    DOT (Pictograms)
    Betamethasone acetate
Section 15. Other Regulatory Information and Pictograms
    TSCA 8(b) inventory: No products were found.
    Federal and State
    Regulations
    California
    Proposition 65
    Warnings
    Other Regulations        Not available.    
    WHMIS (Canada) Not controlled under WHMIS (Canada).
    Other Classifications
    DSCL (EEC)        This product is not classified according    
    to the EU regulations.
    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.
    Dust respirator. Be sure to use an
    approved/certified respirator or
    equivalent.
    Safety glasses.

SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

分子结构数据

1、   摩尔折射率：109.82

2、   摩尔体积（m3/mol）：334.0

3、   等张比容（90.2K）：900.9

4、   表面张力（dyne/cm）：52.9

5、   极化率（10-24cm3）：43.53

计算化学数据

1、   疏水参数计算参考值（XlogP）：2.8

2、   氢键供体数量：2

3、   氢键受体数量：7

4、   可旋转化学键数量：4

5、   互变异构体数量：6

6、   拓扑分子极性表面积（TPSA）：101

7、   重原子数量：31

8、   表面电荷：0

9、   复杂度：910

10、   同位素原子数量：0

11、   确定原子立构中心数量：8

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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