倍氯米松

倍氯米松 基本信息
CAS号 4419-39-0 分子式 C22H29ClO5
分子量 408.91600 精确质量  408.17000
PSA  94.83000 LogP  2.16500

基本信息 展开↓

CAS号:
4419-39-0
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分子式:
C22H29ClO5
分子量:
408.91600
中文名称:
倍氯米松
英文名称:
beclomethasone
中文别名:
倍氯米松;
9α-氯-16β-甲基孕甾-1,4-二烯-11β,17α,21-三醇-3,20-二酮;
9α-氯-11β,17α,21-三羟基-16β-甲基孕甾-1,4-二烯-3,20-二酮;
倍氯美松
英文别名:
beclomethasone;
Beclomethasone;
(8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
精确分子量/精确质量:
408.17000
极性分子表面积/PSA:
94.83000
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。
EINECS:
224-585-9
InChI:
The Key: NBMKJKDGKREAPL-DVTGEIKXSA-N

生产制备方法及用途展开↓

制备方法


由地塞米松制得。

用途简介


制取倍氯米松二丙酸酯。

物化性质展开↓

外观与性状:
白色至灰白色结晶粉末
密度:
1.35g/cm3
熔点:
210ºC
沸点:
600.2ºC at 760 mmHg
闪点:
316.8ºC
折射率:
1.61

MSDS 展开↓


Section 1. Chemical Product and Company Identification
    Beclomethasone
    Common Name/
    Trade Name
    Beclomethasone

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 Slightly flammable to flammable in presence of heat.
    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.    
    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.
    Beclomethasone

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.
    Storage        Keep container tightly closed. Keep container in a cool, well-ventilated area. Do not store above 8°C (46.4°F).    
    Refrigerate.

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. Use a dust respirator if ventilation is inadequate and handling of
    product creates visible dust clouds. 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. (Solid powder.)        Odor        Not available.    
    Taste        Not available.    
    Molecular Weight        408.92 g/mole    
    Color        White.    
    pH (1% soln/water)        Not available.    
    Boiling Point        Not available.    
    Melting Point        198°C (388.4°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.    
    Not available.
    Dispersion Properties
    Solubility        Not available.    

Section 10. Stability and Reactivity Data
    Stability        The product is stable.    
    Not available.
    Instability Temperature
    Conditions of Instability        Excess heat    
    Incompatibility with various        Not available.    
    substances
    Corrosivity        Not available.    
    Beclomethasone
    Special Remarks on        Not available.    
    Reactivity
    Special Remarks on        Not available.    
    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 Not available.
    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
    Not available.
    Chronic Effects on Humans
    Special Remarks on other        Acute Potential Health Effects:    
    Toxic Effects on Humans        Skin: May cause skin irritation.    
    Eyes: Dust may cause eye irritation.
    Inhalation: A massive single dose is unlikely to cause adverse effects. Dust may cause respiratory tract
    (nasopharyngeal) irritaiton with nasopharyngitis, nasal burning, rhinorrhea, hoarseness, bronchospasm, coughing
    and possible nasal septum perforation. It may also cause headache, nausea, vomiting.
    Ingestion: May cause gastrointestinal tract irritation with nausea, vomiting.
    Other adverse effects of inhalation or ingestion may include: decreased or blurred vision, frequent urination,
    increased thirst, increased appetite, indegestion, nervousness, trouble sleeping weight gain, dizziness, flushing of
    the face or cheeks, hiccups, and increased sweating.
    Chronic Potential Health Effects:
    Inhalation or Ingestion: Prolonged or repeated inhalation or ingestion may cause possible hypersensitization; acne
    or other skin problems; hip or shoulder pain; osteoporosis; gradual blurring or loss of vision (cataracts or
    glaucoma); eye pain or redness; tearing and sensitivity of eyes to light; rounding out of the face; purple lines on
    arms, face, legs, trunk, groin; unusual increase in hair growth; hypertension; menstrual irregularities; muscle
    weakness; unusual bruising; rapid weight gain; swelling of feet or lower legs; irregular heartbeat; muscle cramps
    or pain; unusual tiredness or weakness; impaired wound healing; headache; insomnia; pain in back, ribs, arms or
    legs; continuing abdominal or stomach pain or burning; nausea; vomiting; bloody or black tarry stools; tendon
    rupture; thin, fragile skin.
    Medical Conditions Aggravated by Exposure: Hypersensitivity to material; ocular herpes simplex; AIDS or HIV
    infection; heart disease; congestive heart failure; recent heart attack; intestinal anastomoses; strongyloides
    infestation; diabetes mellitus; mayasthenia gravis; impaired kidney function or disease; esophagitis; gastritis or
    peptic ulcer; chicken pox or measles (including recent exposure); tuberculosis; system fungal infections.

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 products of degradation are more toxic than the product itself.    
    of Biodegradation
    Special Remarks on the        Not available.    
    Products of Biodegradation
    Beclomethasone

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
    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        EINECS: This product is on the European Inventory of Existing Commercial Chemical Substances. EINECS no.    
    224-585-9.
    WHMIS (Canada) Not controlled under WHMIS (Canada).
    Other Classifications
    DSCL (EEC)        This product is not classified according Not applicable.    
    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)
    Beclomethasone
    ADR (Europe)
    (Pictograms)
    Protective Equipment
    Gloves.
    Lab coat.
    Dust respirator. Be sure to use an
    approved/certified respirator or
    equivalent.


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:3

3.氢键受体数量:5

4.可旋转化学键数量:2

5.互变异构体数量:9

6.拓扑分子极性表面积:94.8

7.重原子数量:28

8.表面电荷:0

9.复杂度:805

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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