二水合盐酸纳洛酮; 17-烯丙基-4,5a-环氧基-3,14-二羟基吗啡喃-6-酮盐酸盐二水合物

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

二水合盐酸纳洛酮; 17-烯丙基-4,5a-环氧基-3,14-二羟基吗啡喃-6-酮盐酸盐二水合物 基本信息

中文名称:
二水合盐酸纳洛酮; 17-烯丙基-4,5a-环氧基-3,14-二羟基吗啡喃-6-酮盐酸盐二水合物 
中文别名:
二水合盐酸纳洛酮;
17-烯丙基-4,5a-环氧基-3,14-二羟基吗啡喃-6-酮盐酸盐二水合物;
盐酸纳洛酮二水合物 
英文名称:
Morphinan-6-one,4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, hydrochloride, dihydrate, (5a)-
英文别名:
Naloxone hydrochloride dihydrate;
(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one,dihydrate,hydrochloride 
CAS No.:
51481-60-8
分 子 式:

C19H21NO4.ClH.2H2O

分 子 量:
399.87
精确分子量:
399.14500
PSA:
88.46000
MDL:
MFCD00150901
EINECS:
201-447-6
BRN:
6260807
InChI:
The Key: YCVUZJQETSDTPY-SEKGTEMMSA-N
危险品标志:

风险术语:

R36/37/38   

安全术语:

S22;S24/25;S26;S36/37/39

分子结构式:
SDS:
查看

二水合盐酸纳洛酮; 17-烯丙基-4,5a-环氧基-3,14-二羟基吗啡喃-6-酮盐酸盐二水合物 物化性质

外观与性状:
白色至灰白色粉末
熔点:
182 °C (dec.)(lit.)
闪点:
288.4ºC
存储条件/存储方法:

 

 

密闭于2-8 ºC阴凉干燥环境中

稳定性相关:

 

遵照规定使用和储存则不会分解。

其它信息:

1.       性状:白色粉末

2.       密度(g/mL,25/4):无可用

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):182

5.       沸点(ºC,常压):无可用

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:无可用

8.       闪点(ºC):无可用

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V):无可用

19.    溶解性:无可用

二水合盐酸纳洛酮; 17-烯丙基-4,5a-环氧基-3,14-二羟基吗啡喃-6-酮盐酸盐二水合物 安全信息

WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R36/37/38
安全说明:
S22-S24/25-S26-S36/37/39
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。
S24/25:防止皮肤和眼睛接触。
:
危险标志:
Xi: Irritant;

二水合盐酸纳洛酮; 17-烯丙基-4,5a-环氧基-3,14-二羟基吗啡喃-6-酮盐酸盐二水合物 毒理性

生态数据:

 

该物质对环境可能有危害,对水体应给予特别注意。

二水合盐酸纳洛酮; 17-烯丙基-4,5a-环氧基-3,14-二羟基吗啡喃-6-酮盐酸盐二水合物 MSDS


Section 1. Chemical Product and Company Identification
    Naloxone Hydrochloride, Dihydrate
    Common Name/
    Trade Name
    Naloxone Hydrochloride, Dihydrate

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. Cold water may be used. 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. Cold water may be used.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        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), nitrogen oxides (NO, NO2...), 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 Risks of explosion of the product in presence of mechanical impact: Not available.
    of Various Substances        Slightly explosive in presence of open flames and sparks.    
    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    
    Fire Hazards
    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.
    Naloxone Hydrochloride, Dihydrate

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 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. Preferably store at 15 deg. C to 25    
    deg C.

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 powder.)        Odor        Not available.    
    Not available.
    Taste
    Molecular Weight        399.87 g/mole    
    Not available.
    Color
    Not available.
    pH (1% soln/water)
    Boiling Point        Not available.    
    Melting Point        200°C (392°F) - 205 C    
    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.    
    Solubility        Soluble in cold water, hot water.    
    Insoluble in diethyl ether.
    Soluble in alcohol.
    Practically insoluble in chloroform.
    Naloxone Hydrochloride, Dihydrate

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

Section 11. Toxicological Information
    Routes of Entry        Inhalation. Ingestion.    
    Toxicity to Animals        Acute oral toxicity (LD50): >1000 mg/kg [Mouse].    
    Chronic Effects on Humans Not available.
    Other Toxic Effects on        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: May cause eye irritation.
    Inhalation: May cause respiratory tract irritation.
    Ingestion. May cause gastrointestinal tract irritation nwith nausea, and vomiting. May affect respiration (dyspnea,
    acute pulmonary edema), behavior (headache, convulsions), and cardiovascular system (hypotension,
    hypertension, bradycardia)
    Chronic Potential Health Effects:
    Skin: Prolonged or repeated skin contact may cause sensitization.
    The toxicological properties is this substance have not been fully investigated.

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 as toxic as the product itself.    
    of Biodegradation
    Special Remarks on the        Not available.    
    Products of Biodegradation
    Naloxone Hydrochloride, Dihydrate

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
    Proposition 65
    to cause birth defects which would require a warning under the statute: No products were found.
    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)        R22- Harmful if swallowed.        S2- Keep out of the reach of children.    
    R36/38- Irritating to eyes and skin.        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)
    Naloxone Hydrochloride, Dihydrate
    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

二水合盐酸纳洛酮; 17-烯丙基-4,5a-环氧基-3,14-二羟基吗啡喃-6-酮盐酸盐二水合物 分子结构与计算化学数据

分子结构数据

1摩尔折射率:无可用

2、   摩尔体积(cm3/mol):无可用       

3、   等张比容(90.2K):无可用

4、   表面张力(dyne/cm):无可用

5、   极化率:无可用

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:5

3.氢键受体数量:7

4.可旋转化学键数量:2

5.互变异构体数量:6

6.拓扑分子极性表面积72

7.重原子数量:27

8.表面电荷:0

9.复杂度:594

10.同位素原子数量:0

11.确定原子立构中心数量:4

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:4

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