醋酸氟轻松

醋酸氟轻松 基本信息
CAS号 356-12-7 分子式 C26H32F2O7
分子量 494.52500 精确质量  494.21200
PSA  99.13000 LogP  2.93760

基本信息 展开↓

CAS号:
356-12-7
3D弹球模型:
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分子式:
C26H32F2O7
分子量:
494.52500
中文名称:
醋酸氟轻松
英文名称:
Fluocinolone Acetonide Acetate
中文别名:
醋酸氟轻松;
氟轻松醋酸酯;
肤万酯氧-6α,9-二氟-11β-羟基-16α,17-[(1-甲基亚乙基)双(氧)]娠烷-1,4-二烯-3,20-二酮;
醋酸肤轻松
英文别名:
Fluocinolone Acetonide Acetate;
fluocinonide;
Fluocinonide
精确分子量/精确质量:
494.21200
极性分子表面积/PSA:
99.13000
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:
206-597-6
InChI:
InChI=1/C26H32F2O7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h6-8,15-16,18-19,21,31H,9-12H2,1-5H3/t15-,16-,18-,19-,21+,23-,24-,25-,26+/m0/s1

生产制备方法及用途展开↓

制备方法


适用于治疗湿疹、神经性皮炎、皮肤瘙痒症、接触性皮炎、牛皮癣、盘状红斑狼疮、扁平苔癣、外耳炎、日光性皮炎等。奏效迅速,使用低浓度(0.025%)即有明显疗效。止痒作用较好。

用途简介


物化性质展开↓

外观与性状:
白色结晶粉末
密度:
1.34g/cm3
熔点:
309ºC
沸点:
591.1ºC at 760mmHg
闪点:
311.3ºC
折射率:
1.56

安全信息展开↓

风险类别:
6.1(a)
海关代码:
2937210000
危险类别码:
R28
安全说明:
22-25-28-36/37/39-45
危险标志:
T+: Very toxic;

合成路线查看所有的合成路线

  • 67-73-2

    醋酸氟轻松

  • +

  • 108-24-7

    乙酸酐

  • ~97%

  • 356-12-7

    醋酸氟轻松

  • 3932-49-8

    21-O-acetyl 1,2-dihydrofluocinolone acetonide

  • 356-12-7

    醋酸氟轻松

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TU3831000
CHEMICAL NAME :
Pregna-1,4-diene-3,20-dione, 6-alpha, 9-difluoro-11-beta,16-alpha,17,21-tetrahydroxy-, cyclic 17-acetal with acetone, 21-acetate
CAS REGISTRY NUMBER :
356-12-7
LAST UPDATED :
199709
DATA ITEMS CITED :
11
MOLECULAR FORMULA :
C26-H32-F2-O7
MOLECULAR WEIGHT :
494.58
WISWESSER LINE NOTATION :
T F5 E5 B666 GO IO RV AHTTTT&J A1 BF CQ E1 FV1OV1 H1 H1 OF

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 :
14 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 :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
300 ug/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 :
720 ug/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 :
>6 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 :
160 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 :
165 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 :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3750 ug/kg/30D-I
TOXIC EFFECTS :
Blood - changes in bone marrow (not otherwise specified) Blood - changes in leukocyte (WBC) count Nutritional and Gross Metabolic - weight loss or decreased weight gain
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
3 mg/kg
SEX/DURATION :
female 3 day(s) pre-mating
TOXIC EFFECTS :
Reproductive - Maternal Effects - uterus, cervix, vagina

MUTATION DATA

TEST SYSTEM :
Rodent - mouse
DOSE/DURATION :
4 gm/kg
REFERENCE :
BJDEAZ British Journal of Dermatology. (Blackwell Scientific Pub. Ltd., POB 88, Oxford, UK) V.63- 1951- Volume(issue)/page/year: 94,1,1976 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6123 No. of Facilities: 52 (estimated) No. of Industries: 2 No. of Occupations: 4 No. of Employees: 10431 (estimated) No. of Female Employees: 9606 (estimated)

MSDS 展开↓


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

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 immediate    
    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        Evacuate the victim to a safe area as soon as possible. Loosen tight clothing such as a collar, tie, belt or    
    waistband. Seek medical attention.
    Ingestion        If swallowed, 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 immediately.
    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        When heated to decomposition it emits toxic fumes. As with most organic solids, fire is possible at elevated    
    Fire Hazards        temperatures    
    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.    
    Large Spill        Poisonous solid.    
    Stop leak if without risk. Do not get water inside container. Do not touch spilled material. Use water spray to
    reduce vapors. Prevent entry into sewers, basements or confined areas; dike if needed. Eliminate all ignition
    Fluocinonide

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.
    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. (Powdered solid.)        Odor        Not available.    
    Taste        Not available.    
    Molecular Weight        494.54 g/mole    
    Color        White.    
    pH (1% soln/water)        Not applicable.    
    Not available.
    Boiling Point
    Melting Point        300°C (572°F)    
    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        Insoluble in cold water, hot water.    
    Soluble in ethanol

Section 10. Stability and Reactivity Data
    Stability        The product is stable.    
    Not available.
    Instability Temperature
    Conditions of Instability        Excess heat, dust generation    
    Incompatibility with various        Not available.    
    substances
    Corrosivity        Non-corrosive in presence of glass.    
    Fluocinonide
    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. Dermal contact. Inhalation. Ingestion.    
    Toxicity to Animals        Acute oral toxicity (LD50): 14 mg/kg [Rat].    
    Chronic Effects on Humans Not available.
    Other Toxic Effects on        Very hazardous in case of ingestion.    
    Humans        Hazardous in case of skin contact (irritant, permeator), of inhalation.    
    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: Skin contact may cause skin irritation witn burning, itching, dryness, Folliculitis, Hypertrichosis, acneform    
    eruptions, Hypopigmentation, Perioral dermatitis. May also cause allergic contact dermatitis, skin atrophy (loss of
    skin collegan), maceration of the skin, secondary infection, Striae, Miliaria. Topical corticosteroids can be
    absorbed through the skin in sufficient amounts to produce systemic effects (see ingestion)
    Eyes: May cause eye irritaiton, corneal ulcers and visual disturbances
    Inhalation: May be harmful if inhaled. It may be irritating to the mucous membranes and upper respiratory tract.
    Ingestion: May be fatal if swallowed. It may affect blood (changes is leukocyte count, changes in bone marrow),
    and metabolism (weight loss), cardiovascular system (hypertension, cardiac failure). It may also cause edema
    Note: Systemic absorption of topical corticosteroids has produced reversible hypothalmic-pituitary-adrenal (HPA)
    axid supression, manifestations of Cushing's syndrome, hyperglycemia, and glucosuria in some individuals.

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

Section 14. Transport Information
    DOT Classification        CLASS 6.1: Poisonous material.    
    Identification        : Toxic solid, organic, n.o.s. (Fluocinonide) UNNA: 2811 PG: II    
    Not available.
    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        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)        R28- Very toxic if swallowed.        S22- Do not breathe dust.    
    R63- Possible risk of harm to the        S25- Avoid contact with eyes.    
    unborn child.        S36/37/39- Wear suitable protective clothing,    
    gloves and eye/face protection.
    S45- In case of accident or if you feel unwell,
    seek medical advice immediately (show the
    label where possible).
    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)
    Fluocinonide
    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:1

3.氢键受体数量:9

4.可旋转化学键数量:4

5.互变异构体数量:2

6.拓扑分子极性表面积:99.1

7.重原子数量:35

8.表面电荷:0

9.复杂度:1070

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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  • 67-73-2

    醋酸氟轻松

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  • 3932-49-8

    21-O-acetyl 1,2-dihydrofluocinolone acetonide

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