联硫亚盐氯乙醛钠水合物

联硫亚盐氯乙醛钠水合物 基本信息
CAS号 13064-50-1 分子式 C2H5ClO4S.Na
分子量 183.56504 精确质量  182.94948
PSA  85.81000 LogP  0.16960

基本信息 展开↓

CAS号:
13064-50-1
分子式:
C2H5ClO4S.Na
分子量:
183.56504
中文名称:
联硫亚盐氯乙醛钠水合物
英文名称:
Ethanesulfonic acid, 2-chloro-1-hydroxy-, sodium salt (1:1)
中文别名:
联硫亚盐氯乙醛钠水合物;
氯乙醛亚硫酸氢钠;
氯乙醛重亚硫酸钠;
联硫亚盐氯乙醛钠
英文别名:
Ethanesulfonic acid, 2-chloro-1-hydroxy-, sodium salt (1:1);
Ethanesulfonic acid, 2-chloro-1-hydroxy-, monosodium salt (8CI,9CI);
Ethanesulfonic acid, 2-chloro-1-hydroxy-, sodium salt (7CI);
Monochloroacetaldehyde sodium bisulfite adduct;
Sodium 2-chloro-1-hydroxyethane-1-sulfonate;
Sodium 2-chloro-1-hydroxyethanesulfonate;
Sodium monochloroacetaldehyde bisulfite
精确分子量/精确质量:
182.94948
极性分子表面积/PSA:
85.81000
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:
MFCD00059901
EINECS:
235-958-0

物化性质展开↓

存储条件/存储方法:

常温密闭,阴凉通风干燥

稳定性相关:

常温常压下稳定

避免的物料 氧化物

其它信息:

1.       性状:白色粉末

2.       密度(g/mL,25):未确定

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):未确定

6.       沸点(ºC0.1mmHg):未确定

7.       折射率:未确定

8.       闪点(ºC):未确定

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(20ºC):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↓

包装等级:
III
风险类别:
6.1
危险类别码:
R25
安全说明:
S22-S36/37-S45
安全标志:
S22:不要吸入粉尘。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:

化学图谱

  1. 氯乙醛重亚硫酸钠核磁图(13CNMR)

  2. 氯乙醛重亚硫酸钠核磁图(1HNMR)

  3. 氯乙醛重亚硫酸钠红外图谱(IR1)

  4. 氯乙醛重亚硫酸钠红外图谱(IR2)

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毒理性展开↓

毒理学数据:

主要的刺激性影响:

在皮肤上面:刺激皮肤和粘膜

在眼睛上面:刺激的影响

致敏作用:没有已知的敏化现象

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↓

  Chloroacetaldehyde Sodium Bisulfite      Revision number: 1    
  SAFETY DATA SHEET

Section 1. BASE INFORMATION
  Product name:        Chloroacetaldehyde Sodium Bisulfite    

  Revision number:        1    

Section 2. HAZARDS IDENTIFICATION
  Classification of the GHS
  PHYSICAL HAZARDS        Not classified    
  HEALTH HAZARDS
    Category 3
  Acute toxicity (Oral)
  ENVIRONMENTAL HAZARDS        Not classified    
  GHS label elements
  Pictograms or hazard symbols
  Signal word        Danger    
  Hazard statement        Toxic if swallowed    
  Precautionary statements
  [Prevention]        Do not eat, drink or smoke when using this product.    
    Wash hands thoroughly after handling.
  [Response]        IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. Rinse    
    mouth.
  [Storage]        Store locked up.    
    Dispose of contents/container through a waste management company authorized by
  [Disposal]
    the local government

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance    
  Component(s):        Chloroacetaldehyde Sodium Bisulfite    
  Percent:        >95.0%(T)    
  CAS Number:        13064-50-1    
  Synonyms:        2-Chloroethanol-1-sulfonic Acid Sodium Salt , 2-Chloro-1-hydroxyethanesulfonic Acid    
    Sodium Salt
  Chemical Formula:        C2H4ClNaO4S    

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.
  Chloroacetaldehyde Sodium Bisulfite

Section 4. FIRST AID MEASURES
  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:        Immediately call a POISON CENTER or doctor/physician. Rinse mouth.    
  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:        Take care as it may decompose upon combustion or in high temperatures to    
    generate poisonous fume.
  Specific methods:        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.
  Special protective        When extinguishing fire, be sure to wear personal protective equipment.    
  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
  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.    
  Storage
  Storage conditions:        Keep container tightly closed. Store in a cool and dark place.    
    Store locked up.
    Store away from incompatible materials such as oxidizing agents.
  Packaging material:        Law is followed.    

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust. Also install safety shower and eye bath.    
  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.    
  Eye protection:        Safety goggles. A face-shield, if the situation requires.    
  Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
    Solid
  Physical state (20°C):
  Form:        crystal - powder    
  Color:        White - Very pale yellow    
  Odor:        No data available    
  Chloroacetaldehyde Sodium Bisulfite

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  pH: No data available
  Melting point/freezing point:No data available
  Boiling Point/Range:        No data available    
  Flash Point:        No data available    
  Explosive limits
    No data available
  Lower:
  Upper:        No data available    
    No data available
  Density:
  Solubility:        No data available    

Section 10. STABILITY AND REACTIVITY
  Stability:        Stable under proper conditions.    
  Reactivity:        No special reactivity has been reported.    
  Incompartible materials: oxidizing agents
  Hazardous Decomposition Carbon monoxide, Carbon dioxide, Sulphur oxides, 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:
    Group 3 (Not classifiable as carcinogenic to humans).
  IARC =
  NTP =        No data available    
    No data available
  Reproductive toxicity:

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available    
  Crustacea:        No data available    
  Algae:        No data available    
  Persistence / degradability: No data available
  Bioaccumulative        No data available    
  potential(BCF):
  Mobillity 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:        2811    
  Proper shipping name:        Toxic solid, organic, n.o.s.    
  Packing group:        III    
  Chloroacetaldehyde Sodium Bisulfite

Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26,
  2002): 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↓

分子结构数据


1、摩尔折射率:无可用的

2、摩尔体积(cm3/mol):无可用的

3、等张比容(90.2K):无可用的

4、表面张力(dyne/cm):无可用的

5、介电常数:无可用的

6、极化率(10-24cm3):无可用的

7、单一同位素质量:181.941651 Da

8、标称质量:182 Da

9、平均质量:182.5585 Da

计算化学数据


1、   氢键供体数量:1

2、   氢键受体数量:4

3、   可旋转化学键数量:2

4、   拓扑分子极性表面积(TPSA):77.4

5、   重原子数量:9

6、   表面电荷:0

7、   复杂度:148

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:1

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:2

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