二苯甲基膦酸

二苯甲基膦酸 基本信息
CAS号 7526-26-3 分子式 C13H13O3P
分子量 248.21400 精确质量  248.06000
PSA  45.34000 LogP  3.96730

基本信息 展开↓

CAS号:
7526-26-3
3D弹球模型:
立即前往扯扯看
分子式:
C13H13O3P
分子量:
248.21400
中文名称:
二苯甲基膦酸
英文名称:
[methyl(phenoxy)phosphoryl]oxybenzene
中文别名:
二苯甲基膦酸;
磷酸甲基二苯基酯
英文别名:
[methyl(phenoxy)phosphoryl]oxybenzene;
Phosphonic acid,methyl-,diphenyl ester;
O,O-diphenyl methylphosphonate;
bisphenyl methylphosphonate;
diphenyl methylphosphonate;
methanephosphonic acid diphenyl ester;
EINECS 231-388-1;
methylphosphonic acid diphenylester
精确分子量/精确质量:
248.06000
极性分子表面积/PSA:
45.34000
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:
231-388-1
InChI:
The Key: HPUPGAFDTWIMBR-UHFFFAOYSA-N

物化性质展开↓

密度:
1.21 g/mL at 25ºC(lit.)
熔点:
32.5-37.5ºC(lit.)
沸点:
344.3ºC at 760 mmHg
闪点:
230 °F
折射率:
1.554
存储条件/存储方法:

密封于阴凉干燥环境

稳定性相关:

如果遵照规格使用和储存则不会分解。

其它信息:

1.       性状:无可用

2.       密度(g/mL,25/4): 1.21

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):32.5-37.5

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

合成路线查看所有的合成路线

  • 67-56-1

    甲醇

  • +

  • 7719-12-2

    三氯化磷

  • ~98%

  • 18351-42-3

    Phosphorous acid, dimethyl phenyl ester

  • +

  • 7526-26-3

    二苯甲基膦酸

  • 101-02-0

    亚磷酸三苯酯

  • +

  • 121-45-9

    三甲氧基磷

  • ~95%

  • 115-86-6

    磷酸三苯酯

  • +

  • 18351-42-3

    Phosphorous acid, dimethyl phenyl ester

  • +

  • 7526-26-3

    二苯甲基膦酸

  • +

  • 108-95-2

    苯酚

  • 67-56-1

    甲醇

  • +

  • 7719-12-2

    三氯化磷

  • ~94%

  • 18351-42-3

    Phosphorous acid, dimethyl phenyl ester

  • +

  • 7526-26-3

    二苯甲基膦酸

毒理性展开↓

毒理学数据:

试验方法:口服
摄入剂量: 233毫克/千克
测试对象:啮齿动物-
毒性类型:急性
毒性作用: 1.嗜睡(普通抑郁活动)
2.
头发受损
3.
体重减轻或减少体重增加

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。

MSDS 展开↓


Section I.Chemical Product and Company Identification
    Chemical Name Diphenyl Methylphosphonate
    Portland OR
    Methylphosphonic Acid Diphenyl Ester
    Synonym
    C13H13O3P
    Chemical Formula
    CAS Number        7526-26-3    

Section II.        Composition and Information on Ingredients    
    Chemical Name        CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    Diphenyl Methylphosphonate        7526-26-3        Min. Not available.        Rat LD50 (oral) 233 mg/kg    
    98.0%(GC)

Section III. Hazards Identification
    Acute Health Effects        Toxic if ingested or inhaled. Avoid prolonged contact with this material. Overexposure may result in serious illness or    
    death.
    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: Not available.
    Repeated exposure to an highly toxic material may produce general deterioration of health by an accumulation in one or
    many human organs.

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 for at least 15 minutes while removing contaminated clothing    
    and shoes. Wash clothing before reuse. Thoroughly clean shoes before reuse. Get medical attention immediately.
    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.
    INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
    Ingestion
    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    
    Auto-Ignition        Not available.    
    Flammability        May be combustible at high temperature.    
    Flash Points        Flammable Limits        Not available.    
    110°C (230°F).
    Combustion Products        These products are toxic carbon oxides (CO, CO2), phosphates.    
    Fire Hazards
    Not available.
    Risks of explosion of the product in presence of mechanical impact: Not available.
    Explosion Hazards
    Risks of explosion of the product in presence of static discharge: Not available.
    Fire Fighting Media
    SMALL FIRE: Use DRY chemical powder.
    LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
    and Instructions
    Consult with local fire authorities before attempting large scale fire-fighting operations.
    Continued on Next Page
    Diphenyl Methylphosphonate

Section VI.        Accidental Release Measures    
    Spill Cleanup        Toxic Material.    
    Stop leak if without risk. If the product is in its solid form: Use a shovel to put the material into a convenient waste
    Instructions
    disposal container. If the product is in its liquid form: DO NOT get water inside container. Absorb with an inert material
    and put the spilled material in an appropriate waste disposal. DO NOT touch spilled material. Use water spray to reduce
    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
    Handling and Storage        TOXIC. Keep locked up.. Keep away from heat. Mechanical exhaust required. When not in use, tightly seal the    
    container and store in a dry, cool place. Avoid excessive heat and light. DO NOT ingest. Do not breathe dust. Wear
    Information
    suitable protective clothing. If ingested, seek medical advice immediately and show the container or the label. Treat
    symptomatically and supportively.
    Always store away from incompatible compounds such as oxidizing agents, alkalis (bases).

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        Splash goggles. 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
    Solid. (White Crystals and Lumps.)        Solubility    
    Physical state @ 20°C        Not available.    
    1.21 (water=1)
    Specific Gravity
    Molecular Weight        248.21        Partition Coefficient        Not available.    
    Boiling Point
    Not available.        Vapor Pressure        Not applicable.    
    Melting Point        32.5 to 37.5°C (90.5 to 99.5°F)        Vapor Density        Not available.    
    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 strong oxidizing agents, strong alkalis (bases).

Section XI. Toxicological Information
    RTECS Number        SZ9127500    
    Eye Contact. Ingestion. Inhalation.
    Routes of Exposure
    Toxicity Data        Rat LD50 (oral) 233 mg/kg    
    CARCINOGENIC EFFECTS : Not available.
    Chronic Toxic Effects
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated exposure to an highly toxic material may produce general deterioration of health by an accumulation in one or
    many human organs.
    Toxic if ingested or inhaled. Avoid prolonged contact with this material. Overexposure may result in serious illness or
    Acute Toxic Effects
    death.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
    Continued on Next Page
    Diphenyl Methylphosphonate

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

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 6.1: Toxic material.    
    PIN Number
    Proper Shipping Name
    Toxic solid, organic, n.o.s
    Packing Group (PG)        III    
    DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This compound is ON the EPA Toxic Substances Control Act (TSCA) inventory list.    
    (EPA)
    WHMIS Classification        CLASS D-1B: Material causing immediate and serious toxic effects (TOXIC).    
    On NDSL.
    (Canada)
    EINECS Number (EEC)        231-388-1    
    EEC Risk Statements
    R23/24/25- Toxic by inhalation, in contact with skin and if swallowed.


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


1   摩尔折射率:66.05

2   摩尔体积m3/mol205.9

3   等张比容(90.2K):528.0

4   表面张力dyne/cm43.1

5   极化率10-24cm326.18

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:0

3.氢键受体数量:3

4.可旋转化学键数量:4

5.互变异构体数量:无

6.拓扑分子极性表面积35.5

7.重原子数量:17

8.表面电荷:0

9.复杂度:244

10.同位素原子数量:0

11.确定原子立构中心数量:0

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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