醋酸氟轻松

醋酸氟轻松 基本信息
CAS号 67-73-2 分子式 C24H30F2O6
分子量 452.48800 精确质量  452.20100
PSA  93.06000 LogP  2.36680

基本信息 展开↓

CAS号:
67-73-2
3D弹球模型:
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分子式:
C24H30F2O6
分子量:
452.48800
中文名称:
醋酸氟轻松
英文名称:
fluocinolone acetonide
中文别名:
醋酸氟轻松;
乙酸肤轻松;
醋酸肤轻松;
肤轻松;
氟轻松;
仙乃乐;
6α,9α-Difluoro-11β,16α,17α,21-tetrahydroxy-1,4-pregnadiene-3,20-dione;
11b-羟基-16a,17-[(1-甲基亚乙基)-双(氧)]-21-(乙酰氧基)-6a,9-二氟孕甾-1,4-二烯-3,20-二酮
英文别名:
fluocinolone acetonide;
Fluocinolone acetonide;
Fluocinolone Acetonide
精确分子量/精确质量:
452.20100
极性分子表面积/PSA:
93.06000
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:
MFCD00010525
EINECS:
200-668-5
PubChem:
24894978
InChI:
InChI=1/C24H30F2O6/c1-20(2)31-19-9-13-14-8-16(25)15-7-12(28)5-6-21(15,3)23(14,26)17(29)10-22(13,4)24(19,32-20)18(30)11-27/h5-7,13-14,16-17,19,27,29H,8-11H2,1-4H3/t13?,14?,16-,17-,19+,21-,22-,23-,24+/m0/s1

生产制备方法及用途展开↓

制备方法


为外用皮质激素,涂于皮肤患处,治疗皮肤过敏而引起瘙痒,粘膜的炎症,神经性皮炎、接触皮炎、日光性皮炎、牛皮癣等,特别适合用于婴儿湿疹,且疗效显著,副作用少,奏效快,止痒效果好。

用途简介


物化性质展开↓

密度:
1.36g/cm3
熔点:
267-269 °C(lit.)
沸点:
579ºC
闪点:
303.7°C
折射率:
103 ° (C=1, MeOH)
其它信息:

1.      性状:白色或近白色结晶性粉末,无味

2.      密度(g/mL,25/4):不确定

3.      相对蒸汽密度(g/mL,空气=1):不确定

4.      熔点(ºC):267-269(lit.)

5.      沸点(ºC,常压):不确定

6.      沸点(ºC,5.2kPa):不确定

7.      折射率:103°(C=1,MeOH)

8.      闪点(ºC):不确定

9.      比旋光度(º):不确定

10.   自燃点或引燃温度(ºC):不确定

11.   蒸气压(kPa,25ºC):不确定

12.   饱和蒸气压(kPa,60ºC):不确定

13.   燃烧热(KJ/mol):不确定

14.   临界温度(ºC):不确定

15.   临界压力(KPa):不确定

16.   油水(辛醇/水)分配系数的对数值:不确定

17.   爆炸上限(%,V/V):不确定

18.   爆炸下限(%,V/V):不确定

19.   溶解性:不溶于水,易溶于丙酮,在乙醇、氯仿中溶解,在乙醚中微溶

安全信息展开↓

海关代码:
2937210000
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R20/21/22;R36/37/38;R40
安全说明:
S26-S36-S22
RTECS号:
TU3830000
安全标志:
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

  • 1269666-12-7

    1269666-12-7

  • 67-73-2

    醋酸氟轻松

  • 1269666-10-5

    fluocinolone acetonide 21-(2'-methoxypropionate)

  • 67-73-2

    醋酸氟轻松

  • 1269666-13-8

    1269666-13-8

  • 67-73-2

    醋酸氟轻松

化学图谱

  1. 氟轻松红外图谱(IR1)

  2. 氟轻松质谱(MS)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TU3830000
CHEMICAL NAME :
Pregna-1,4-diene-3,20-dione, 6,9-difluoro-11,12-dihydroxy-16,17-((1-methylethylide ne) bis(oxy))-, (6-alpha,11-beta,16-alpha)-
CAS REGISTRY NUMBER :
67-73-2
LAST UPDATED :
199710
DATA ITEMS CITED :
21
MOLECULAR FORMULA :
C24-H30-F2-O6
MOLECULAR WEIGHT :
452.54
WISWESSER LINE NOTATION :
T F5 E5 B666 GO IO RV AHTTTT&J A BF CQ E FVIQ H H OF -A&BHO -B&ACEF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>4 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
42 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
108 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>4 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
103 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
>3170 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1750 ug/kg/35D-I
TOXIC EFFECTS :
Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
1 mg/kg
SEX/DURATION :
female 1-20 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - litter size (e.g. # fetuses per litter; measured before birth) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
1200 ug/kg
SEX/DURATION :
female 8-31 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - stillbirth
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
1625 ug/kg
SEX/DURATION :
female 6-18 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - abortion
TYPE OF TEST :
Mutation test systems - not otherwise specified
TYPE OF TEST :
DNA inhibition

MUTATION DATA

TYPE OF TEST :
Morphological transformation
TEST SYSTEM :
Rodent - hamster Embryo
DOSE/DURATION :
620 ug/L
REFERENCE :
AETODY Advances in Modern Environmental Toxicology. (Senate Press, Inc., P.O. Box 252, Princeton Junction, NJ 08550) V.1- 1980- Volume(issue)/page/year: 1,241,1980 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83287 No. of Facilities: 100 (estimated) No. of Industries: 2 No. of Occupations: 3 No. of Employees: 1551 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83287 No. of Facilities: 72 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 4106 (estimated) No. of Female Employees: 3249 (estimated)

MSDS 展开↓


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

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.
    Skin Contact        In case of contact, immediately flush skin with plenty of water. Cover the irritated skin with an emollient. Remove    
    contaminated clothing and shoes. Wash clothing before reuse. Thoroughly clean shoes before reuse. Get
    medical attention.
    Serious Skin Contact        Wash with a disinfectant soap and cover the contaminated skin with an anti-bacterial cream. Seek medical    
    attention.
    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. Loosen tight clothing such as a collar, tie, belt or waistband. Get medical attention if
    symptoms appear.
    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        Non-flammable in presence of shocks.    
    Explosion Hazards in Presence Slightly explosive in presence of open flames and sparks.
    of Various Substances        Non-explosive in presence of shocks.    
    Fire Fighting Media        SMALL FIRE: Use DRY chemical powder.    
    and Instructions        LARGE FIRE: Use water spray, fog or foam. Do not use water jet.    
    Special Remarks on        As with most organic solids, fire is possible at elevated temperatures When heated to decomposition it emits toxic    
    Fire Hazards        fumes of Carbon Monoxide, Carbon Dioxide, and Hydrogen Fluoride    
    Special Remarks on Explosion Fine dust dispersed in air in sufficient concentrations, and in the presences 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.
    Fluocinolone acetonide

Section 7. Handling and Storage
    Precautions        Keep locked up.. Keep away from heat. Keep away from sources of ignition. Do not ingest. Do not breathe dust.    
    Wear suitable protective clothing. In case of insufficient ventilation, wear suitable respiratory equipment. If
    ingested, seek medical advice immediately and show the container or the label. Avoid contact with skin and eyes.
    Keep away from incompatibles such as oxidizing agents.
    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        Splash goggles. 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 solid. Crystalline powder.)        Odor        Odorless.    
    Not available.
    Taste
    Molecular Weight        452.49 g/mole    
    White.
    Color
    Not applicable.
    pH (1% soln/water)
    Boiling Point        Not available.    
    Melting Point        266°C (510.8°F)    
    Critical Temperature        Not available.    
    Specific Gravity        Not available.    
    Not applicable.
    Vapor Pressure
    Vapor Density        Not available.    
    Not available.
    Volatility
    Odor Threshold        Not available.    
    Water/Oil Dist. Coeff.        Not available.    
    Ionicity (in Water)        Not available.    
    Dispersion Properties        See solubility in water, methanol, acetone.    
    Solubility        Soluble in methanol, acetone.    
    Insoluble in cold water, hot water.
    Soluble in alcohol.
    Slightly soluble in Chloroform.
    Fluocinolone acetonide

Section 10. Stability and Reactivity Data
    The product is stable.
    Stability
    Instability Temperature        Not available.    
    Excess heat, dust generation, incompatible materials
    Conditions of Instability
    Reactive with oxidizing agents.
    Incompatibility with various
    substances
    Corrosivity        Non-corrosive in presence of glass.    
    Special Remarks on        Not available.    
    Reactivity
    Special Remarks on        Not available.    
    Corrosivity
    Polymerization        Will not occur.    

Section 11. Toxicological Information
    Routes of Entry        Absorbed through skin. Inhalation. Ingestion.    
    Toxicity to Animals        Acute oral toxicity (LD50): >4000 mg/kg [Mouse].    
    Chronic Effects on Humans DEVELOPMENTAL TOXICITY: Classified Reproductive system/toxin/female [POSSIBLE].
    Other Toxic Effects on        Hazardous in case of skin contact (irritant), of ingestion, of inhalation.    
    Humans        Slightly hazardous in case of skin contact (permeator).    
    Special Remarks on        Not available.    
    Toxicity to Animals
    Special Remarks on        May cause adverse reproductive effects.    
    Chronic Effects on Humans
    May affect genetic material (mutagenic)
    Special Remarks on other        Potential Health Effects:    
    Toxic Effects on Humans        Skin: May cause skin irritation with itching and burning feeling, skin dryness, folliculitis, acneifom erruptions,    
    perioral dermatitis, allergic contact dermatitis, hypertrichosis. It may be absorbed by the skin and cause systemic
    effects.
    Eyes: Causes eye irritation.
    Inhalation: Causes upper respiratory tract and mucous membrane irritation.
    Ingestion: May cause gastrointestinal tract irritation. Prolonged or repeated ingestion may affect metabolism

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
    Fluocinolone acetonide

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
    Proposition 65
    Warnings
    Other Regulations        EINECS: This product is on the European Inventory of Existing Commercial Chemical Substances.    
    WHMIS (Canada) Not controlled under WHMIS (Canada).
    Other Classifications
    DSCL (EEC)        R36/38- Irritating to eyes and skin.        S2- Keep out of the reach of children.    
    R40- Possible risks of irreversible        S36/37- Wear suitable protective clothing and    
    effects.        gloves.    
    R62- Possible risk of impaired fertility.        S46- If swallowed, seek medical advice    
    immediately and show this container or label.
    Health Hazard
    HMIS (U.S.A.)        2 National Fire Protection    
    1 Flammability
    1 Association (U.S.A.)
    Fire Hazard
    2 0 Reactivity
    Health
    Reactivity
    0
    Specific hazard
    Personal Protection
    E
    WHMIS (Canada)
    (Pictograms)
    DSCL (Europe)
    (Pictograms)
    TDG (Canada)
    (Pictograms)
    Fluocinolone acetonide
    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↓

分子结构数据


五、分子性质数据:

1、  摩尔折射率:109.50

2、  摩尔体积(m3/mol):330.3

3、  等张比容(90.2K):890.0

4、  表面张力(dyne/cm):52.7

5、  极化率10-24cm3):43.41

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:2

3.氢键受体数量:8

4.可旋转化学键数量:2

5.互变异构体数量:3

6.拓扑分子极性表面积93.1

7.重原子数量:32

8.表面电荷:0

9.复杂度:960

10.同位素原子数量:0

11.确定原子立构中心数量:9

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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下游产品

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  • 13242-30-3

    UNII-00K9NWZ23G

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