β-萘酚紫

β-萘酚紫 基本信息
CAS号 7143-21-7 分子式 C16H11N3O9S2.2Na
分子量 499.38435 精确质量 　498.97322
PSA 　221.93000 LogP 　5.36200
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目录
基本信息 物化性质 安全信息 化学图谱 毒性 MSDS 结构与计算数据

基本信息 展开↓

CAS号：
7143-21-7
分子式：
C16H11N3O9S2.2Na
分子量：
499.38435
中文名称：
β-萘酚紫
英文名称：
2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[2-(4-nitrophenyl)diazenyl]-, sodium salt (1:2)
中文别名：
β-萘酚紫;
1-(4-硝基苯偶氮基)-2-萘酚-3,6-二磺酸二钠盐;
萘酚紫;
4-[[4-(苯甲酰氨基)-2-甲氧基-5-甲基苯基]偶氮]-3-羟基-N-苯基-2-萘甲酰胺
英文别名：
2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[2-(4-nitrophenyl)diazenyl]-, sodium salt (1:2);
2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[(4-nitrophenyl)azo]-, disodium salt (9CI);
2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[(p-nitrophenyl)azo]-, disodium salt (7CI,8CI);
2-Naphthol-3,6-disulfonic acid, 1-(p-nitrophenylazo)-, disodium salt (6CI)
精确分子量/精确质量：
498.97322
极性分子表面积/PSA：
221.93000
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：
MFCD00021457
EINECS：
230-443-7
InChI：
InChI=1/C16H11N3O9S2/c20-16-14(30(26,27)28)8-9-7-12(29(23,24)25)5-6-13(9)15(16)18-17-10-1-3-11(4-2-10)19(21)22/h1-8,17H,(H,23,24,25)(H,26,27,28)/b18-15-

物化性质展开↓

密度：
1.8g/cm3
折射率：
1.749
存储条件/存储方法：

密封于阴凉干燥处。

稳定性相关：

遵照规格使用和储存则不会分解。

其它信息：

1.       性状：深红色粉末.

2.       密度（g/mL,25/4℃）： 无可用

 

4.       熔点（ºC）：无可用

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：可溶于水

安全信息展开↓

危险类别码：
R36/37/38
安全说明：
S26-S36
安全标志：
S26:万一接触眼睛，立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。

化学图谱

  1. β-萘酚紫红外图谱(IR1)

  2. β-萘酚紫核磁图(1HNMR)

上一页 1/4 下一页

毒理性展开↓

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↓

  β-Naphthol Violet      Revision number: 5    
  SAFETY DATA SHEET
Section 1. IDENTIFICATION
  Product name:        β-Naphthol Violet    
                  

  Revision number:        5    
Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS        Not classified    
  HEALTH HAZARDS        Not classified    
  ENVIRONMENTAL HAZARDS        Not classified    
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols        None    
  Signal word        No signal word    
  Hazard statements        None    
  Precautionary statements:        None    
Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
    Substance
  Substance/mixture:
  Components:        β-Naphthol Violet    
  Percent:        ....    
  CAS Number:        7143-21-7    
  Synonyms:        1-(4-Nitrophenylazo)-2-naphthol-3,6-disulfonic Acid Disodium Salt    
  Chemical Formula:        C16H9N3Na2O9S2    
Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.    
    Get medical advice/attention if you feel unwell.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Rinse skin with    
    water/shower. If skin irritation or rash occurs: Get medical advice/attention.
  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.
  Ingestion:        Get medical advice/attention if you feel unwell. Rinse mouth.    
    A rescuer should wear personal protective equipment, such as rubber gloves and air-
  Protection of first-aiders:
    tight goggles.
Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, water spray, carbon dioxide.    
  media:
  Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
  from the chemical:        generate poisonous fume.    
  β-Naphthol Violet
Section 5. FIRE-FIGHTING MEASURES
  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 personal protective equipment. Keep people away from and upwind of spill/leak.    
  protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
  emergency procedures: 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 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
  Storage conditions:        Keep container tightly closed. Store in a cool and dark place.    
    Store away from incompatible materials such as oxidizing agents.
  Packaging material:        Comply with laws.    
Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust as possible so that workers should not be    
    exposed directly. Also install safety shower and eye bath.
  Personal protective equipment
  Respiratory protection: Dust respirator. Follow local and national regulations.
  Hand protection:        Protective gloves.    
  Eye protection:        Safety glasses. A face-shield, if the situation requires.    
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.
Section 9. PHYSICAL AND CHEMICAL PROPERTIES
    Solid
  Physical state (20°C):
  Form:        Crystal- Powder    
  Colour:        Deep yellow red - Deep red    
  Odour:        No data available    
  pH: No data available
  Melting point/freezing point:No data available
  Boiling point/range:        No data available    
  Flash point:        No data available    
  Flammability or explosive
  limits:
  Lower:        No data available    
    No data available
  Upper:
  Relative density:        No data available    
  Solubility(ies):
  [Water]        No data available    
  [Other solvents]        No data available    
  β-Naphthol Violet
Section 10. STABILITY AND REACTIVITY
    Stable under proper conditions.
  Chemical stability:
  Possibility of hazardous No special reactivity has been reported.
  reactions:
  Incompatible materials: Oxidizing agents
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Sulfur oxides
  products:
Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        No data available    
  Skin corrosion/irritation: No data available
  Serious eye        No data available    
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
  IARC =        No data available    
  NTP =        No data available    
  Reproductive toxicity:        No data available    
Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available    
    No data available
  Crustacea:
  Algae:        No data available    
  Persistence / degradability: No data available
  Bioaccumulative        No data available    
  potential(BCF):
  Mobility in soil
    No data available
  Log Pow:
  Soil adsorption (Koc):        No data available    
    No data available
  Henry's Law
  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
    Does not correspond to the classification standard of the United Nations
  Hazards Class:
  UN-No:        Not listed    
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.
  β-Naphthol Violet

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：无可用

2、   摩尔体积（cm3/mol）： 无可用

3、   等张比容（90.2K）：无可用

4、   表面张力（dyne/cm）：无可用

计算化学数据

1、   疏水参数计算参考值（XlogP）：无可用

2、   氢键供体数量：1

3、   氢键受体数量：11

4、   可旋转化学键数量：2

5、   拓扑分子极性表面积（TPSA）：199

6、   重原子数量：32

7、   表面电荷：0

8、   复杂度：952

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：1

13、   不确定化学键立构中心数量：0

14、   共价键单元数量：3

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