阿仑膦酸

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品

阿仑膦酸 基本信息

中文名称:
阿仑膦酸 
中文别名:
阿仑膦酸;
阿仑磷酸;
4-氨基-1-羟基丁亚基-1,1-二磷酸;
(4-氨基-1-羟基亚丁基)双磷酸 
英文名称:
Alendronic acid
英文别名:
alendronic acid;
(4-Amino-1-hydroxybutane-1,1-diyl)diphosphonic acid;
(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid 
CAS No.:
66376-36-1
分 子 式:

C4H13NO7P2

分 子 量:
249.1
精确分子量:
249.01700
PSA:
180.93000
InChI:
InChI=1/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)
危险品标志:

 

风险术语:

 

安全术语:

 

分子结构式:
SDS:
查看

阿仑膦酸 制备方法及用途

制备方法

1.将1mol 4-氨基丁酸加入95℃的熔融的1.5mol磷酸,然后在60min中滴加2mol三卤化磷。当反应物硬化后,再加热3h。加入300ml水进行水解,冷却后倾入1500ml甲醇,收集沉淀,得到64.6%的阿仑膦酸。 2.在4-氨基丁酸与磷酸中,滴加三卤化磷反应。当反应物硬化后,再加热,加入水进行水解,冷却后放入甲醇,收集即得阿仑膦酸。

合成制备方法

1.将1mol 4-氨基丁酸加入95℃的熔融的1.5mol磷酸,然后在60min中滴加2mol三卤化磷。当反应物硬化后,再加热3h。加入300ml水进行水解,冷却后倾入1500ml甲醇,收集沉淀,得到64.6%的阿仑膦酸。

2.在4-氨基丁酸与磷酸中,滴加三卤化磷反应。当反应物硬化后,再加热,加入水进行水解,冷却后放入甲醇,收集即得阿仑膦酸。

用途简介

适应症:用于治疗绝经后妇女的骨质疏松症,以预防髋部和脊柱骨折。

用途

二膦酸类骨吸收抑制剂。用于治疗骨质疏松症。

阿仑膦酸 物化性质

外观与性状:
白色结晶粉末
密度:
1.857 g/cm3
熔点:
230-235ºC
沸点:
616.7ºC at 760 mmHg
闪点:
326.7ºC
存储条件/存储方法:

存放在密封容器内,并放在阴凉,干燥处。储存的地方必须远离氧化剂。

稳定性相关:

常温常压下稳定,远离氧化剂。

其它信息:

1.       性状:微白色粉末。

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):230-235

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:溶于水,易溶于乙醇,几乎不溶于氯仿。

阿仑膦酸 安全信息

海关代码:
2931900090
RTECS号:
SZ6521833

阿仑膦酸 毒理性

生态数据:

通常对水是不危害的,若无政府许可,勿将材料排入周围环境。

阿仑膦酸 MSDS


Section I.Chemical Product and Company Identification
    Chemical Name Alendronic Acid
    Portland OR
    Synonym        Phosphonic acid, P,P'-(4-amino-1-    
    hydroxybutylidene)bis- (CA INDEX NAME);
    4-Amino-1-hydroxybutane-1,1-diphosphonic Acid
    Chemical Formula        C4H13NO7P2    
    CAS Number        66376-36-1    

Section II.        Composition and Information on Ingredients    
    Toxicology Data
    Chemical Name        CAS Number Percent (%)        TLV/PEL    
    66376-36-1 Min. 98.0 (T) Not available.        Not available.    
    Alendronic Acid

Section III. Hazards Identification
    Acute Health Effects        Corrosive to skin, eyes, and respiratory system. Liquid or spray mist may produce tissue damage, particularly in mucous    
    membranes of the eyes, mouth and respiratory tract. Skin contact may produce burns. Eye contact can result in corneal
    damage or blindness. Inhalation of the spray mist may produce severe irritation of respiratory tract, characterized by
    coughing, choking, or shortness of breath. Corrosive materials may cause serious injury if ingested.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
    Chronic Health Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Reproductive Effects.
    Rat TDLo Subcutaneous 2 mg/kg, female 11-20 days of pregnancy
    TOXIC Effects:
    Specific Developmental Abnormalities - Musculoskeletal system
    Repeated exposure of the eyes to a low level of dust can produce eye irritation. Repeated skin exposure can produce
    local skin destruction, or dermatitis. Repeated inhalation of dust can produce varying degree of respiratory irritation or
    lung damage.

Section IV.        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. Remove contaminated clothing and shoes. Wash clothing    
    before reuse. Thoroughly clean shoes before reuse. Get medical attention.
    Inhalation        If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or    
    waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
    improve.
    Ingestion        DO NOT INDUCE VOMITING. Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing,    
    perform mouth-to-mouth resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a
    possible indication that the toxic material was ingested; the absence of such signs, however, is not conclusive.

Section V.        Fire and Explosion Data    
    Not available.
    Auto-Ignition
    Flammability        May be combustible at high temperature.    
    Flammable Limits
    Flash Points        Not available.    
    Not available.
    Combustion Products        These products are toxic carbon oxides (CO, CO 2), nitrogen oxides (NO, NO2), phosphates.    
    Fire Hazards
    Not available.
    Explosion Hazards        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.
    Continued on Next Page
    Alendronic Acid
    Fire Fighting Media
    SMALL FIRE: Use DRY chemical powder.
    and Instructions        LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.    
    Consult with local fire authorities before attempting large scale fire-fighting operations.

Section VI.        Accidental Release Measures    
    Spill Cleanup
    Corrosive material.
    Stop leak if without risk. DO NOT get water inside container. DO NOT touch spilled material. Use water spray to reduce
    Instructions
    vapors. Prevent entry into sewers, basements or confined areas; dike if needed. Eliminate all sources of ignition.
    Consult federal, state, and/or local authorities for assistance on disposal.

Section VII. Handling and Storage
    CORROSIVE. Keep container dry. Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the
    Handling and Storage
    container and store in a dry, cool place. Avoid excessive heat and light. Do not breathe dust. Never add water to this
    Information
    product. Wear suitable protective clothing. If you feel unwell, seek medical attention and show the label when possible.
    Treat symptomatically and supportively.
    Always store away from incompatible compounds such as oxidizing agents.

Section VIII. 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        Face shield. Lab coat. Dust respirator. Boots. Gloves. A MSHA/NIOSH approved respirator must be used 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 IX. Physical and Chemical Properties
    Physical state @ 20°C        Solid. (White ~ light yellow, crystal.)        Solubility    
    Not available.
    Not available.
    Specific Gravity
    Molecular Weight        249.1        Partition Coefficient    
    Not available.
    Boiling Point        Vapor Pressure    
    Not available.        Not applicable.    
    Not available.        Not available.    
    Melting Point        Vapor Density    
    Refractive Index        Not available.        Volatility        Not available.    
    Critical Temperature        Not available.        Odor        Not available.    
    Viscosity        Not available.        Taste        Not available.    

Section X.        Stability and Reactivity Data    
    Stability    
This material is stable if stored under proper conditions. (See Section VII for instructions)    
    Conditions of Instability
    Avoid excessive heat and light.
    Incompatibilities
    Reactive with oxidizing agents.

Section XI. Toxicological Information
    RTECS Number        SZ6521833    
    Routes of Exposure        Eye Contact. Ingestion. Inhalation.    
    Toxicity Data        Not available.    
    CARCINOGENIC EFFECTS : Not available.
    Chronic Toxic Effects
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Reproductive Effects.
    Rat TDLo Subcutaneous 2 mg/kg, female 11-20 days of pregnancy
    TOXIC Effects:
    Specific Developmental Abnormalities - Musculoskeletal system
    Repeated exposure of the eyes to a low level of dust can produce eye irritation. Repeated skin exposure can produce
    local skin destruction, or dermatitis. Repeated inhalation of dust can produce varying degree of respiratory irritation or
    lung damage.
    Continued on Next Page
    Alendronic Acid
    Acute Toxic Effects        Corrosive to skin, eyes, and respiratory system. Liquid or spray mist may produce tissue damage, particularly in mucous    
    membranes of the eyes, mouth and respiratory tract. Skin contact may produce burns. Eye contact can result in corneal
    damage or blindness. Inhalation of the spray mist may produce severe irritation of respiratory tract, characterized by
    coughing, choking, or shortness of breath. Corrosive materials may cause serious injury if ingested.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.

Section XII.        Ecological Information    
    Ecotoxicity        Not available.    
    Environmental Fate        Not available.    

Section XIII. Disposal Considerations
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
    Waste Disposal
    combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
    federal, state and local regulations when disposing of the substance.

Section XIV. Transport Information
    DOT Classification
    DOT Class 8: Corrosive material
    PIN Number
    Proper Shipping Name
    Corrosive solid, n.o.s.
    Packing Group (PG)        III    
    DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40    
    CFR 720.36 (C) for those products not on the inventory list:
    (EPA)
    (i) These products are supplied solely for use in research and development by or under the supervision of a technically
    qualified individual as defined in 40 CFR 720.0 et sec.
    (ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
    supplied on an MSDS sheet.
    WHMIS Classification
    CLASS E: Corrosive solid.
    (Canada)
    EINECS Number (EEC) Not available.
    EEC Risk Statements
    R34- Causes burns.


SECTION 16 - ADDITIONAL INFORMATION
N/A

阿仑膦酸 海关数据

中国海关编码:2931900090

概述:
2931900090. 其他有机-无机化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB(入境货物通关单,出境货物通关单). 最惠国关税:6.5%. 普通关税:30.0%
摘要/Summary:
2931900090. other organo-inorganic compounds. VAT:17.0%. Tax rebate rate:13.0%. Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward). MFN tariff:6.5%. General tariff:30.0%

阿仑膦酸 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:45.50

2、   摩尔体积(cm3/mol):134.1

3、   等张比容(90.2K):443.2

4、   表面张力(dyne/cm):119.3

5、   极化率(10-24cm3):18.03

计算化学数据

1、   疏水参数计算参考值(XlogP):-6.5

2、   氢键供体数量:6

3、   氢键受体数量:8

4、   可旋转化学键数量:5

5、   拓扑分子极性表面积(TPSA):161

6、   重原子数量:14

7、   表面电荷:0

8、   复杂度:257

9、   同位素原子数量:0

10、   确定原子立构中心数量:0

11、   不确定原子立构中心数量:0

12、   确定化学键立构中心数量:0

13、   不确定化学键立构中心数量:0

14、   共价键单元数量:1

 

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