二氯酞菁锡(IV)

二氯酞菁锡(IV) 基本信息
CAS号 18253-54-8 分子式 C32H16Cl2N8Sn++
分子量 702.13000 精确质量  701.99000
PSA  65.32000 LogP  2.46260

基本信息 展开↓

CAS号:
18253-54-8
3D弹球模型:
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分子式:
C32H16Cl2N8Sn++
分子量:
702.13000
中文名称:
二氯酞菁锡(IV)
英文名称:
trans-tin(IV) phthalocyanine dichloride
中文别名:
二氯酞菁锡(IV);
二氢基二氯化锡;
酞菁二氯化锡(IV);
二氯酞菁锡
英文别名:
trans-tin(IV) phthalocyanine dichloride;
Phthalocyanine Tin(IV) Dichloride;
Tin(IV) phthalocyanine dichloride
精确分子量/精确质量:
701.99000
极性分子表面积/PSA:
65.32000
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:
MFCD00054210
PubChem:
24900614
InChI:
The Key: BBRNKSXHHJRNHK-UHFFFAOYSA-L

物化性质展开↓

外观与性状:
紫色结晶粉末
存储条件/存储方法:

常温密闭避光,通风干燥惰性气体下

稳定性相关:

常温常压下稳定

避免的物料:水分/潮湿 氧化物

其它信息:

1.       性状:深蓝色粉末

2.       密度(g/mL,25/4):不确定

3.       相对蒸汽密度(g/mL,空气=1):不确定

4.       熔点(ºC):不确定

5.       沸点ºC,常压):不确定

6.       沸点(ºC, 5.2kPa):不确定

7.       折射率:不确定

8.       闪点(ºC):不确定

9.       比旋光度(º):不确定

10.    自燃点或引燃温度(ºC):不确定

11.    蒸气压(kPa,25ºC):不确定

12.    饱和蒸气压(kPa,60ºC):不确定

13.    燃烧热(KJ/mol):不确定

14.    临界温度(ºC):不确定

15.    临界压力(KPa):不确定

16.    油水(辛醇/水)分配系数的对数值:不确定

17.    爆炸上限(%,V/V):不确定

18.    爆炸下限(%,V/V):不确定

19.    溶解性:不确定

安全信息展开↓

包装等级:
III
风险类别:
6.1
危险类别码:
36/37/38
安全说明:
24/25

化学图谱

  1. 二氯酞菁锡红外图谱(IR1)

  2. 二氯酞菁锡红外图谱(IR2)

  3. 二氯酞菁锡质谱(MS)

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毒理性展开↓

生态数据:

通常对水体是稍微有害的,不要将未稀释或大量产品接触地下水,水道或污水系统,未经政府许可勿将材料排入周围环境。

MSDS 展开↓

  Tin(IV) Phthalocyanine Dichloride      Revision number: 5    
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
  Product name:        Tin(IV) Phthalocyanine Dichloride    
    
  Revision number:        5    

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS        Not classified    
  HEALTH HAZARDS
  Acute toxicity (Oral)        Category 3    
    Category 3
  Acute toxicity (Dermal)
  Acute toxicity (Inhalation)        Category 3    
    Category 2
  Skin corrosion/irritation
  Serious eye damage/eye irritation        Category 2A    
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
  Signal word        Danger    
    Toxic if swallowed, in contact with skin or if inhaled
  Hazard statements
    Causes skin irritation
    Causes serious eye irritation
  Precautionary statements:
    Avoid breathing dust/fume/gas/mist/vapours/spray.
  [Prevention]
    Use only outdoors or in a well-ventilated area.
    Do not eat, drink or smoke when using this product.
    Wash hands thoroughly after handling.
    Wear protective gloves and eye/face protection.
  [Response]        IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for    
    breathing. Call a POISON CENTER or doctor/physician.
    IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. Rinse
    mouth.
    IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
    if present and easy to do. Continue rinsing.
    If eye irritation persists: Get medical advice/attention.
    IF ON SKIN: Gently wash with plenty of soap and water.
    If skin irritation occurs: Get medical advice/attention.
    Remove/Take off immediately all contaminated clothing.
    Wash contaminated clothing before reuse.
    Call a POISON CENTER or doctor/physician if you feel unwell.
  Tin(IV) Phthalocyanine Dichloride

Section 2. HAZARDS IDENTIFICATION
  [Storage]        Store in a well-ventilated place. Keep container tightly closed.    
    Store locked up.
  [Disposal]        Dispose of contents/container through a waste management company authorized by    
    the local government.

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Components:        Tin(IV) Phthalocyanine Dichloride    
    ....
  Percent:
  CAS Number:        18253-54-8    
    Phthalocyanine Tin(IV) Dichloride
  Synonyms:
  Chemical Formula:        C32H16Cl2N8Sn    

Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.    
    Call a POISON CENTER or doctor/physician.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Gently wash with plenty of    
    soap and water. Call a POISON CENTER or doctor/physician.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present    
    and easy to do. Continue rinsing. If eye irritation persists: Get medical
    advice/attention.
    Immediately call a POISON CENTER or doctor/physician. Rinse mouth.
  Ingestion:
  Protection of first-aiders:        A rescuer should wear personal protective equipment, such as rubber gloves and air-    
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
    Dry chemical, foam, water spray, carbon dioxide.
  Suitable extinguishing
  media:
  Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
  from the chemical:        generate poisonous fume.    
  Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Remove movable
    containers if safe to do so.
    When extinguishing fire, be sure to wear personal protective equipment.
  Special protective
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions,        Use extra personal protective equipment (P3 filter respirator for toxic particles). Keep    
  protective equipment and people away from and upwind of spill/leak. Entry to non-involved personnel should
  emergency procedures: be controlled around the leakage area by roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
  containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
  up: appropriate laws and regulations.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.    
    Prevent dispersion of dust. Wash hands and face thoroughly after handling.
    Use a closed system if possible. Use a local exhaust if dust or aerosol will be
    generated.
  Advice on safe handling: Avoid contact with skin, eyes and clothing.
  Conditions for safe storage, including any
  incompatibilities
    Keep container tightly closed. Store in a cool, dark and well-ventilated place.
  Storage conditions:
  Tin(IV) Phthalocyanine Dichloride

Section 7. HANDLING AND STORAGE
    Store under inert gas.
    Protect from moisture.
    Store locked up.
    Store away from incompatible materials such as oxidizing agents.
    Moisture-sensitive
  Packaging material:        Comply with laws.    

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
    Install a closed system or local exhaust. Also install safety shower and eye bath.
  Engineering controls:
  Exposure limits:
    0.1 mg(Sn)/m3 (skin)
  ACGIH TLV(TWA):
    0.2 mg(Sn)/m3 (skin)
  ACGIH TLV(STEL):
    0.1 mg(Sn)/m3
  OSHA PEL(TWA):
  Personal protective equipment
  Respiratory protection: Dust respirator, self-contained breathing apparatus(SCBA), supplied air respirator,
    etc. Use respirators approved under appropriate government standards and follow
    local and national regulations.
  Hand protection:        Impervious gloves.    
    Safety goggles. A face-shield, if the situation requires.
  Eye protection:
  Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Solid    
    Crystal- Powder
  Form:
  Colour:        Deep blue - Deep purple    
    No data available
  Odour:
  pH: No data available
  Melting point/freezing point:No data available
  Boiling point/range:        No data available    
    No data available
  Flash point:
  Flammability or explosive
  limits:
  Lower:        No data available    
    No data available
  Upper:
  Relative density:        No data available    
  Solubility(ies):
  [Water]        Insoluble    
    No data available
  [Other solvents]

Section 10. STABILITY AND REACTIVITY
  Chemical stability:        Stable under proper conditions.    
  Possibility of hazardous No special reactivity has been reported.
  reactions:
  Incompatible materials: Oxidizing agents
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Hydrogen chloride
  products:

Section 11. TOXICOLOGICAL INFORMATION
    No data available
  Acute Toxicity:
  Skin corrosion/irritation: No data available
    No data available
  Serious eye
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
    No data available
  IARC =
  NTP =        No data available    
  Tin(IV) Phthalocyanine Dichloride

Section 11. TOXICOLOGICAL INFORMATION
  Reproductive toxicity:        No data available    

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available    
  Crustacea:        No data available    
  Algae:        No data available    
  Persistence / degradability: No data available
    No data available
  Bioaccumulative
  potential(BCF):
  Mobility in soil
  Log Pow:        No data available    
  Soil adsorption (Koc):        No data available    
  Henry's Law        No data available    
  constant(PaM3/mol):

Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
    with a 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 14. TRANSPORT INFORMATION
  Hazards Class:        6.1: Toxic substance.    
  UN-No:        3146    
  Proper shipping name:        Organotin compound, solid, n.o.s.    
  Packing group:        III    
  Marine pollutant        Y    

Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
  and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
    loading and unloading were prescribed.


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、   氢键供体数量:0

2、   氢键受体数量:7

3、   可旋转化学键数量:0

4、   拓扑分子极性表面积(TPSA):82.3

5、   重原子数量:43

6、   表面电荷:0

7、   复杂度:1170

8、   同位素原子数量:0

9、   确定原子立构中心数量:0

10、   不确定原子立构中心数量:0

11、   确定化学键立构中心数量:0

12、   不确定化学键立构中心数量:0

13、   共价键单元数量:1

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