1-叔丁基-4,4,4-三(二甲氨基)-2,2-二[三(二甲氨基)-正膦亚基氨基]-2Λ5,4Λ5-连二(磷氮基化合物)

1-叔丁基-4,4,4-三(二甲氨基)-2,2-二[三(二甲氨基)-正膦亚基氨基]-2Λ5,4Λ5-连二(磷氮基化合物) 基本信息
CAS号 111324-04-0 分子式 C22H63N13P4
分子量 633.71800 精确质量  633.42800
PSA  117.84000 LogP  5.62410

基本信息 展开↓

CAS号:
111324-04-0
3D弹球模型:
立即前往扯扯看
分子式:
C22H63N13P4
分子量:
633.71800
中文名称:
1-叔丁基-4,4,4-三(二甲氨基)-2,2-二[三(二甲氨基)-正膦亚基氨基]-2Λ5,4Λ5-连二(磷氮基化合物)
英文名称:
Phosphazene base P4-t-Bu solution purum, ~1.0 M in hexane
中文别名:
1-叔丁基-4,4,4-三(二甲氨基)-2,2-二[三(二甲氨基)-正膦亚基氨基]-2Λ5,4Λ5-连二(磷氮基化合物);
磷腈;
磷腈配体 P4-叔丁基 溶液
英文别名:
Phosphazene base P4-t-Bu solution purum, ~1.0 M in hexane;
P4-phosphazene t-Bu;
tert-butyl-P4;
1-TERT-BUTYL-4,4,4-TRIS(DIMETHYLAMINO)-2,2-BIS[TRIS(DIMETHYLAMINO)-PHOSPHORANYLIDE-NAMINO]-2LAMBDA5,4LAMBDA5-CATENADI(PHOSPHAZENE);
PHOSPHAZENE BASE P(4)-T-BU SOLUTION,1.0 0 M IN N-HEXANE;
Schwesinger P4 Base;
P4-t-Bu phosphazene base;
PHOSPHAZENE BASE P4-T-BU;
Schwesinger phosphazene base;
Schwesinger base;
phosphazene base P(4)-T-bu solution
精确分子量/精确质量:
633.42800
极性分子表面积/PSA:
117.84000
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:
MFCD00145114
PubChem:
24887457
BRN:
5784423
InChI:
The Key: NSRBCQCXZAYQHF-UHFFFAOYSA-N

物化性质展开↓

密度:
0.90 g/mL at 20ºC
闪点:
-26ºC
存储条件/存储方法:

保持贮藏器密封、储存在阴凉、干燥的地方,确保工作间有良好的通风或排气装置

稳定性相关:

如果遵照规格使用和储存则不会分解,未有已知危险反应,避免强氧化物

其它信息:

1.       性状:液体

2.       密度(g/mL,20ºC):0.90

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):未确定

6.       沸点(ºC0.4mmHg):未确定

7.       折射率:未确定

8.       闪点(°C):-26

9.       比旋光度(ºF):未确定

10.    自燃点或引燃温度(ºC):未确定

11.    蒸气压(kPa,20ºC):未确定

12.    饱和蒸气压(kPa,110ºC):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:
11-34-48/20-51/53-62-65-67
安全说明:
26-36/37/39-45-61-62
危险标志:
F: Flammable;C: Corrosive;N: Dangerous for the environment;

合成路线查看所有的合成路线

  • 18854-80-3

    N-叔丁基亚氨代磷酸三氯化物

  • +

  • 49778-01-0

    亚氨基-三(二甲氨基)正膦

  • +

  • 124-40-3

    二甲胺

  • 111324-04-0

    1-叔丁基-4,4,4-三(二甲氨基)-2,2-二[三(二甲氨基)-正膦亚基氨基]-2Λ5,4Λ5-连二(磷氮基化合物)

MSDS 展开↓


SECTION 1: Identification of the substance/mixture and of the company/undertaking
  Product identifiers
    Product name        : Phosphazene base P4-t-Bu solution    
    REACH No.        : A registration number is not available for this substance as the substance    
    or its uses are exempted from registration, the annual tonnage does not
    require a registration or the registration is envisaged for a later
    registration deadline.
  

SECTION 2: Hazards identification
  Classification of the substance or mixture
  Classification according to Regulation (EC) No 1272/2008
    Flammable liquids (Category 2), H225
    Skin corrosion (Category 1B), H314
    Reproductive toxicity (Category 2), H361f
    Specific target organ toxicity - single exposure (Category 3), Central nervous system, H336
    Specific target organ toxicity - repeated exposure (Category 2), H373
    Aspiration hazard (Category 1), H304
    Chronic aquatic toxicity (Category 3), H412
    For the full text of the H-Statements mentioned in this Section, see Section 16.
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    F Highly flammable        R11    
    C Corrosive        R34    
    Xn Harmful        R65, R48/20    
    Xn Harmful        R62    
    R67
    R52/53
    For the full text of the R-phrases mentioned in this Section, see Section 16.
  Label elements
  Labelling according Regulation (EC) No 1272/2008
    Pictogram
    Signal word        Danger    
    Hazard statement(s)
    Highly flammable liquid and vapour.
    May be fatal if swallowed and enters airways.
    Causes severe skin burns and eye damage.
    May cause drowsiness or dizziness.
    H361f        Suspected of damaging fertility.    
    May cause damage to organs through prolonged or repeated exposure.
    Harmful to aquatic life with long lasting effects.
    Precautionary statement(s)
    Keep away from heat/sparks/open flames/hot surfaces. - No smoking.
    Avoid breathing vapours.
    Avoid release to the environment.
    Wear protective gloves/ protective clothing/ eye protection/ face
    protection.
    P301 + P310        IF SWALLOWED: Immediately call a POISON CENTER or doctor/    
    physician.
    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)        F Highly flammable    
    C Corrosive
    R-phrase(s)
    R11        Highly flammable.    
    R34        Causes burns.    
    R48/20        Harmful: danger of serious damage to health by prolonged exposure    
    through inhalation.
    R52/53        Harmful to aquatic organisms, may cause long-term adverse effects in    
    the aquatic environment.
    R62        Possible risk of impaired fertility.    
    R65        Harmful: may cause lung damage if swallowed.    
    R67        Vapours may cause drowsiness and dizziness.    
    S-phrase(s)
    S16        Keep away from sources of ignition - No smoking.    
    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).
    S61        Avoid release to the environment. Refer to special instructions/ Safety    
    data sheets.
    S62        If swallowed, do not induce vomiting: seek medical advice immediately    
    and show this container or label.
    Caution - this mixture contains a substance not yet fully tested.
  Other hazards - none

SECTION 3: Composition/information on ingredients
  Mixtures
    Formula        : C22H63N13P4    
    Molecular Weight        : 633,72 g/mol    
  Hazardous ingredients according to Regulation (EC) No 1272/2008
    Component        Classification        Concentration    
  Phosphazene base P(4)-tert-butyl
    CAS-No.        111324-04-0        Skin Corr. 1B; H314        50 - 100 %    
  n-Hexane
    CAS-No.        110-54-3        Flam. Liq. 2; Skin Irrit. 2; Repr. 20 - 25 %    
    EC-No.        203-777-6        2; STOT SE 3; STOT RE 2;    
    Index-No.        601-037-00-0        Asp. Tox. 1; Aquatic Chronic    
    2; H225, H304, H315, H336,
    H361f, H373, H411
  Hazardous ingredients according to Directive 1999/45/EC
    Component        Classification        Concentration    
  Phosphazene base P(4)-tert-butyl
    CAS-No.        111324-04-0        C, R34        50 - 100 %    
  n-Hexane
    CAS-No.        110-54-3        F, Xn, N, Repr.Cat.3, R11 -        20 - 25 %    
    EC-No.        203-777-6        R38 - R48/20 - R62 - R65 -    
    Index-No.        601-037-00-0        R67 - R51/53    
    For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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. 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
    The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
    section 11
  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
    None known.
    Carbon oxides, nitrogen oxides (NOx), Oxides of phosphorus
  Advice for firefighters
    Wear self contained breathing apparatus for fire fighting if necessary.
  Further information
    Use water spray to cool unopened containers.

SECTION 6: Accidental release measures
  Personal precautions, protective equipment and emergency procedures
    Use personal protective equipment. Avoid breathing vapours, mist or gas. Ensure adequate ventilation.
    Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapours accumulating to
    form explosive concentrations. Vapours can accumulate in low areas.
    For personal protection see section 8.
  Environmental precautions
    Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the
    environment must be avoided.
  Methods and materials for containment and cleaning up
    Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and
    place in container for disposal according to local regulations (see section 13).
  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.
    Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic
    charge.
    For precautions see section 2.2.
  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.
    Moisture sensitive.
  Specific end use(s)
    Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
  Control parameters
  Components with workplace control parameters
  Exposure controls
  Appropriate engineering controls
    Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
    at the end of workday.
  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.
    Full contact
    Material: Nitrile rubber
    Minimum layer thickness: 0,4 mm
    Break through time: 480 min
    Splash contact
    Material: Nitrile rubber
    Minimum layer thickness: 0,2 mm
    Break through time: 30 min
    test method: EN374
    If used in solution, or mixed with other substances, and under conditions which differ from EN 374,
    contact the supplier of the CE approved gloves. This recommendation is advisory only and must
    be evaluated by an industrial hygienist and safety officer familiar with the specific situation of
    anticipated use by our customers. It should not be construed as offering an approval for any
    specific use scenario.
  Body Protection
    Complete suit protecting against chemicals, Flame retardant antistatic protective clothing, 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).
  Control of environmental exposure
    Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into
    the environment must be avoided.

SECTION 9: Physical and chemical properties
  Information on basic physical and chemical properties
    a) Appearance        Form: liquid, clear    
    Colour: light yellow
    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 no data available
    boiling range
    g) Flash point        -26 °C - closed cup    
    h) Evapouration 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        0,850 - 0,875 g/cm3 at 20 °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
    Stable under recommended storage conditions.
  Possibility of hazardous reactions
    no data available
  Conditions to avoid
    Heat, flames and sparks. Extremes of temperature and direct sunlight.
  Incompatible materials
    Oxidizing agents
  Hazardous decomposition products
    Other decomposition products - no data available
    In the event of fire: see section 5

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 sensitisation
    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
    Overexposure may cause reproductive disorder(s) based on tests with laboratory animals.
  Specific target organ toxicity - single exposure
    no data available
  Specific target organ toxicity - repeated exposure
    no data available
  Aspiration hazard
    no data available
  Additional Information
    RTECS: Not available
    Warning: contains n-hexane (CAS#110-54-3) a suspected neurotoxin., 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, Vomiting, chest
    pain, Difficulty in breathing, Lung irritation, Gastrointestinal disturbance, Prolonged or repeated contact
    with skin may cause:, defatting, Dermatitis, Contact with eyes can cause:, Redness, Blurred vision,
    Provokes tears., Effects due to ingestion may include:, Gastrointestinal discomfort, Central nervous system
    depression
    Testes. - Irregularities - Based on Human Evidence (n-Hexane)

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
    PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
  Other adverse effects
    Harmful to aquatic life with long lasting effects.

SECTION 13: Disposal considerations
  Waste treatment methods
  Product
    Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting
    as this material is highly flammable. Offer surplus and non-recyclable solutions to a licensed disposal
    company.
  Contaminated packaging
    Dispose of as unused product.

SECTION 14: Transport information
  UN number
    ADR/RID: 2924        IMDG: 2924        IATA: 2924    
  UN proper shipping name
    ADR/RID: FLAMMABLE LIQUID, CORROSIVE, N.O.S. (n-Hexane, Phosphazene base P(4)-tert-butyl)
    IMDG: FLAMMABLE LIQUID, CORROSIVE, N.O.S. (n-Hexane, Phosphazene base P(4)-tert-butyl)
    IATA:        Flammable liquid, corrosive, n.o.s. (n-Hexane, Phosphazene base P(4)-tert-butyl)    
  Transport hazard class(es)
    ADR/RID: 3 (8)        IMDG: 3 (8)        IATA: 3 (8)    
  Packaging group
    ADR/RID: II        IMDG: II        IATA: II    
  Environmental hazards
    ADR/RID: no        IMDG Marine pollutant: no        IATA: no    
  Special precautions for user
    no data available

SECTION 15: Regulatory information
    This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
  Safety, health and environmental regulations/legislation specific for the substance or mixture
    no data available
  Chemical Safety Assessment
    F        Highly flammable    
    N        Dangerous for the environment    
    Xn        Harmful    
    R48/20        Harmful: danger of serious damage to health by prolonged exposure through    
    inhalation.
    R51/53        Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic    
    environment.
    R52/53        Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic    
    environment.
    R62        Possible risk of impaired fertility.    
    R65        Harmful: may cause lung damage if swallowed.    
    R67        Vapours may cause drowsiness and dizziness.    
    Repr.Cat.3        Toxic to Reproduction Category 3    
  Further information
    only.
    The above information is believed to be correct but does not purport to be all inclusive and shall be
    used only as a guide. The information in this document is based on the present state of our knowledge
    and is applicable to the product with regard to appropriate safety precautions. It does not represent any


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:175.83

2、摩尔体积(cm3/mol):570.9

3、等张比容(90.2K):1436

4、表面张力(dyne/cm):40

5、介电常数:无可用的

6、极化率(10-24cm3):69.7

7、单一同位素质量:633.427983 Da

8、标称质量:633 Da

9、平均质量:633.7178 Da

计算化学数据


1.疏水参数计算参考值(XlogP):3.7

2.氢键供体数量:0

3.氢键受体数量:13

4.可旋转化学键数量:13

5.互变异构体数量:无

6.拓扑分子极性表面积78.6

7.重原子数量:39

8.表面电荷:0

9.复杂度:820

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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