氯磷酸二甲酯

氯磷酸二甲酯 基本信息
CAS号 813-77-4 分子式 C2H6ClO3P
分子量 144.49400 精确质量  143.97400
PSA  45.34000 LogP  1.62610

基本信息 展开↓

CAS号:
813-77-4
3D弹球模型:
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分子式:
C2H6ClO3P
分子量:
144.49400
中文名称:
氯磷酸二甲酯
英文名称:
Dimethyl chlorophosphate
中文别名:
氯磷酸二甲酯;
二甲基磷酰氯;
O,O-二甲基磷酰氯
英文别名:
Dimethyl chlorophosphate;
[chloro(methoxy)phosphoryl]oxymethane
精确分子量/精确质量:
143.97400
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。
贝尔斯坦号/MDL:
MFCD00117904
PubChem:
24867405
InChI:
InChI=1/C2H6ClO3P/c1-5-7(3,4)6-2/h1-2H3

生产制备方法及用途展开↓

制备方法


国内普遍采用亚磷酸二甲酯氯化法生产,即先由三氯化磷与甲醇反应制得亚磷酸二甲酯,而后用氯气氯化。 在真空度>86.7 kPa的条件下将三氯化磷与甲醇按一定的比例混合并反应,分去副产物氯甲烷和氯化氢气体,脱酸,在较高温度下再次进行薄膜脱酸,冷却,得亚磷酸二甲酯,经含量分析后,在高真空条件下按一定比例通入氯气,反应得产品。酯化、氯化两步总收率在90%以上。 本品为无色透明液体,遇水分解,溶于酒精、苯、四氯化碳等有机溶剂。

合成制备方法


国内普遍采用亚磷酸二甲酯氯化法生产,即先由三氯化磷与甲醇反应制得亚磷酸二甲酯,而后用氯气氯化。
在真空度>86.7 kPa的条件下将三氯化磷与甲醇按一定的比例混合并反应,分去副产物氯甲烷和氯化氢气体,脱酸,在较高温度下再次进行薄膜脱酸,冷却,得亚磷酸二甲酯,经含量分析后,在高真空条件下按一定比例通入氯气,反应得产品。酯化、氯化两步总收率在90%以上。
本品为无色透明液体,遇水分解,溶于酒精、苯、四氯化碳等有机溶剂。

 

用途简介


O,O-二甲基磷酰氯在农药上用于合成有机磷杀虫剂甲基硫环磷。

用途


OO-二甲基磷酰氯在农药上用于合成有机磷杀虫剂甲基硫环磷。

物化性质展开↓

外观与性状:
无色液体
密度:
1.34 g/mL at 25ºC(lit.)
沸点:
80ºC25 mm Hg(lit.)
闪点:
>230 °F
折射率:
n20/D 1.413(lit.)
存储条件/存储方法:

常温 ,避光,通风干燥处

稳定性相关:

常温常压下稳定

其它信息:

1.       性状: 未确定

2.       密度(g/mL,25/4):1.34

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):未确定

5.       沸点(ºC,常压):80

6.       沸点(ºC,5.2kPa):未确定

7.       折射率:1.413

8.       闪点(ºC):113

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:未确定

安全信息展开↓

危险类别码:
R26/27/28
安全说明:
26-36/37/39-45-7/9
安全标志:
S4:存放在远离居住区的地方。
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:
T+: Very toxic;

合成路线查看所有的合成路线

  • 868-85-9

    亚磷酸二甲酯

  • ~96%

  • 813-77-4

    氯磷酸二甲酯

  • 75-07-0

    乙醛

  • +

  • 121-45-9

    三甲氧基磷

  • ~94%

  • 69412-42-6

    (1-dichlorophosphanyloxy-ethyl)-phosphonic acid dimethyl ester

  • +

  • 813-77-4

    氯磷酸二甲酯

  • 121-45-9

    三甲氧基磷

  • ~93%

  • 69412-42-6

    (1-dichlorophosphanyloxy-ethyl)-phosphonic acid dimethyl ester

  • +

  • 813-77-4

    氯磷酸二甲酯

化学图谱

  1. 氯磷酸二甲酯质谱(MS)

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毒理性展开↓

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

MSDS 展开↓


Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
  Product identifiers
    Product name        : Dimethyl chlorophosphate    
    CAS-No.        : 813-77-4    
  Relevant identified uses of the substance or mixture and uses advised against
    Identified uses        : Laboratory chemicals, Manufacture of substances    
  
  

Section 2. HAZARDS IDENTIFICATION
  Classification of the substance or mixture
  Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
    Acute toxicity, Inhalation (Category 2)
    Acute toxicity, Dermal (Category 2)
    Acute toxicity, Oral (Category 2)
    Skin corrosion (Category 1B)
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    Very toxic by inhalation, in contact with skin and if swallowed. Causes burns.
  Label elements
  Labelling according Regulation (EC) No 1272/2008 [CLP]
    Pictogram
    Signal word        Danger    
    Hazard statement(s)
    H300        Fatal if swallowed.    
    H310        Fatal in contact with skin.    
    H314        Causes severe skin burns and eye damage.    
    H330        Fatal if inhaled.    
    Precautionary statement(s)
    P260        Do not breathe dust/ fume/ gas/ mist/ vapours/ spray.    
    P264        Wash hands thoroughly after handling.    
    P280        Wear protective gloves/ protective clothing/ eye protection/ face    
    protection.
    P284        Wear respiratory protection.    
    P302 + P350        IF ON SKIN: Gently wash with plenty of soap and water.    
    P305 + P351 + P338        IF IN EYES: Rinse cautiously with water for several minutes. Remove    
    contact lenses, if present and easy to do. Continue rinsing.
    Supplemental Hazard        none    
    Statements
  According to European Directive 67/548/EEC as amended.
    Hazard symbol(s)
    R-phrase(s)
    R26/27/28        Very toxic by inhalation, in contact with skin and if swallowed.    
    R34        Causes burns.    
    S-phrase(s)
    S 7/9        Keep container tightly closed and in a well-ventilated place.    
    S26        In case of contact with eyes, rinse immediately with plenty of water and    
    seek medical advice.
    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).
  Other hazards
    Lachrymator.

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substances
    Synonyms        : Dimethyl phosphorochloridate    
    Formula        : C2H6ClO3P    
    Molecular Weight        : 144,49 g/mol    
    Component        Concentration    
  Dimethyl chlorophosphate
    CAS-No.        813-77-4        -    

Section 4. FIRST AID MEASURES
  Description of first aid measures
  General advice
    Consult a physician. Show this safety data sheet to the doctor in attendance.
  If inhaled
    If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
  In case of skin contact
    Take off contaminated clothing and shoes immediately. Wash off with soap and plenty of water. Take
    victim immediately to hospital. Consult a physician.
  In case of eye contact
    Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
  If swallowed
    Do NOT induce vomiting. Never give anything by mouth to an unconscious person. Rinse mouth with
    water. Consult a physician.
  Most important symptoms and effects, both acute and delayed
    Material is extremely destructive to tissue of the mucous membranes and upper respiratory tract, eyes, and
    skin., spasm, inflammation and edema of the larynx, spasm, inflammation and edema of the bronchi,
    pneumonitis, pulmonary edema, burning sensation, Cough, wheezing, laryngitis, Shortness of breath,
    Headache, Nausea
  Indication of any immediate medical attention and special treatment needed
    no data available

Section 5. FIREFIGHTING MEASURES
  Extinguishing media
  Suitable extinguishing media
    Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
  Special hazards arising from the substance or mixture
    Carbon oxides, Oxides of phosphorus, Hydrogen chloride gas
  Advice for firefighters
    Wear self contained breathing apparatus for fire fighting if necessary.
  Further information
    no data available

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions, protective equipment and emergency procedures
    Wear respiratory protection. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Evacuate
    personnel to safe areas.
  Environmental precautions
    Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
  Methods and materials for containment and cleaning up
    Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed
    containers for disposal.
  Reference to other sections
    For disposal see section 13.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
    Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.
    Normal measures for preventive fire protection.
  Conditions for safe storage, including any incompatibilities
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Containers which are
    opened must be carefully resealed and kept upright to prevent leakage.
  Specific end use(s)
    no data available

Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
  Control parameters
  Components with workplace control parameters
  Exposure controls
  Appropriate engineering controls
    Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling
    the product.
  Personal protective equipment
  Eye/face protection
    Tightly fitting safety goggles. Faceshield (8-inch minimum). Use equipment for eye protection
    tested and approved under appropriate government standards such as NIOSH (US) or EN
    166(EU).
  Skin protection
    Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
    (without touching glove's outer surface) to avoid skin contact with this product. Dispose of
    contaminated gloves after use in accordance with applicable laws and good laboratory practices.
    Wash and dry hands.
    The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
    the standard EN 374 derived from it.
  Body Protection
    Complete suit protecting against chemicals, The type of protective equipment must be selected
    according to the concentration and amount of the dangerous substance at the specific workplace.
  Respiratory protection
    Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
    with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup
    to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
    respirator. Use respirators and components tested and approved under appropriate government
    standards such as NIOSH (US) or CEN (EU).

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Information on basic physical and chemical properties
    a) Appearance        Form: liquid    
    Colour: colourless
    b) Odour        no data available    
    c) Odour Threshold        no data available    
    d) pH        no data available    
    e) Melting point/freezing        no data available    
    point
    f) Initial boiling point and 80 °C at 33 hPa - lit.
    boiling range
    g) Flash point        113 °C - closed cup    
    h) Evaporation rate        no data available    
    i) Flammability (solid, gas) no data available
    j) Upper/lower        no data available    
    flammability or
    explosive limits
    k) Vapour pressure        no data available    
    l) Vapour density        no data available    
    m) Relative density        1,34 g/cm3 at 25 °C    
    n) Water solubility        no data available    
    o) Partition coefficient: n- no data available
    octanol/water
    p) Auto-ignition        no data available    
    temperature
    q) Decomposition        no data available    
    temperature
    r) Viscosity        no data available    
    s) Explosive properties        no data available    
    t) Oxidizing properties        no data available    
  Other safety information
    no data available

Section 10. STABILITY AND REACTIVITY
  Reactivity
    no data available
  Chemical stability
    no data available
  Possibility of hazardous reactions
    no data available
  Conditions to avoid
    no data available
  Incompatible materials
    Strong bases, Strong oxidizing agents
  Hazardous decomposition products
    Other decomposition products - no data available

Section 11. TOXICOLOGICAL INFORMATION
  Information on toxicological effects
  Acute toxicity
    no data available
  Skin corrosion/irritation
    no data available
  Serious eye damage/eye irritation
    no data available
  Respiratory or skin sensitization
    no data available
  Germ cell mutagenicity
    no data available
  Carcinogenicity
    IARC:        No component of this product present at levels greater than or equal to 0.1% is identified as    
    probable, possible or confirmed human carcinogen by IARC.
  Reproductive toxicity
    no data available
  Specific target organ toxicity - single exposure
    no data available
  Specific target organ toxicity - repeated exposure
    no data available
  Aspiration hazard
    no data available
  Potential health effects
  Inhalation
    May be fatal if inhaled. Material is extremely destructive to the tissue of the
    mucous membranes and upper respiratory tract.
  Ingestion        May be fatal if swallowed. Causes burns.    
  Skin        May be fatal if absorbed through skin. Causes skin burns.    
  Eyes
    Causes eye burns.
  Signs and Symptoms of Exposure
    Material is extremely destructive to tissue of the mucous membranes and upper respiratory tract, eyes, and
    skin., spasm, inflammation and edema of the larynx, spasm, inflammation and edema of the bronchi,
    pneumonitis, pulmonary edema, burning sensation, Cough, wheezing, laryngitis, Shortness of breath,
    Headache, Nausea
  Additional Information
    RTECS: Not available

Section 12. ECOLOGICAL INFORMATION
  Toxicity
    no data available
  Persistence and degradability
    no data available
  Bioaccumulative potential
    no data available
  Mobility in soil
    no data available
  Results of PBT and vPvB assessment
    no data available
  Other adverse effects
    no data available

Section 13. DISPOSAL CONSIDERATIONS
  Waste treatment methods
  Product
    Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
    professional waste disposal service to dispose of this material.
  Contaminated packaging
    Dispose of as unused product.

Section 14. TRANSPORT INFORMATION
  UN number
    ADR/RID: 2927        IMDG: 2927        IATA: 2927    
  UN proper shipping name
    ADR/RID: TOXIC LIQUID, CORROSIVE, ORGANIC, N.O.S. (Dimethyl chlorophosphate)
    IMDG: TOXIC LIQUID, CORROSIVE, ORGANIC, N.O.S. (Dimethyl chlorophosphate)
    IATA:        Toxic liquid, corrosive, organic, n.o.s. (Dimethyl chlorophosphate)    
  Transport hazard class(es)
    ADR/RID: 6.1 (8)        IMDG: 6.1 (8)        IATA: 6.1 (8)    
  Packaging group
    ADR/RID: I        IMDG: I        IATA: I    
  Environmental hazards
    ADR/RID: no        IMDG Marine Pollutant: no        IATA: no    
  Special precautions for user
    no data available



SECTION 15 - REGULATORY INFORMATION
N/A


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:0

3.氢键受体数量:3

4.可旋转化学键数量:2

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:7

8.表面电荷:0

9.复杂度:84.9

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

上下游相关产品

上游产品

更多
  • 96-36-6

    dimethyl hydrogen phosphite

  • 868-85-9

    亚磷酸二甲酯

  • 67-56-1

    甲醇

  • 121-45-9

    三甲氧基磷

  • 3743-07-5

    chloro(dimethoxy)phosphane

下游产品

更多
  • 1474-74-4

    Diphosphoric acid, P,P-diethyl P',P'-dimethyl ester (9CI)

  • 950-35-6

    甲基对氧磷

  • 18264-30-7

    (4-chlorophenyl) dimethyl phosphate

  • 20465-00-3

    N-dimethoxyphosphorylpropan-1-amine

  • 20465-01-4

    N-dimethoxyphosphorylbutan-1-amine

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