苯磺酸锌

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 毒理性
  • MSDS
  • 结构与计算化学

苯磺酸锌 基本信息

中文名称:
苯磺酸锌 
中文别名:
苯磺酸锌;
苯酚磺酸锌 
英文名称:
Benzenesulfonic acid,4-hydroxy-, zinc salt (2:1)
英文别名:
Benzenesulfonic acid, 4-hydroxy-, zinc salt (2:1);
Benzenesulfonic acid, p-hydroxy-, zinc salt (2:1) (8CI);
Phenozin;
Zinc p-phenolsulfonate;
Zinc phenolsulfonate;
p-Hydroxybenzenesulfonic acid zinc salt 
CAS No.:
127-82-2
分 子 式:
C6H6O4S.1/2Zn
分 子 量:
411.72
精确分子量:
411.92651
PSA:
171.62000
EINECS:
204-867-8
InChI:
InChI=1/2C6H6O4S.Zn/c2*7-5-3-1-2-4-6(5)11(8,9)10;/h2*1-4,7H,(H,8,9,10);/q;;+2/p-2
分子结构式:
SDS:
查看

苯磺酸锌 制备方法及用途

制备方法

1.对羟基苯磺酸与氯化锌反应而得。

合成制备方法

1.对羟基苯磺酸与氯化锌反应而得。

用途简介

用作杀虫剂、抑汗化妆品等原料。

用途

1.用作杀虫剂、抑汗化妆品等原料。

苯磺酸锌 物化性质

外观与性状:
无色至白色结晶固体
存储条件/存储方法:

储存于阴凉干燥处。

稳定性相关:

1.在干燥空气中风化,约于120℃失去全部结晶水.

2.水溶液对石蕊试纸呈酸性,ph值约为4.

其它信息:

1.性状:无色或白色结晶或结晶性粉末。易变成粉红色。

2.溶解性:易溶于水合醇。

苯磺酸锌 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DB7120000
CAS REGISTRY NUMBER :
127-82-2
LAST UPDATED :
199701
DATA ITEMS CITED :
12
MOLECULAR FORMULA :
C12-H10-O8-S2.Zn
MOLECULAR WEIGHT :
411.71

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration into the eye
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 5(5),373,1986 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1800 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 5(5),373,1986
TYPE OF TEST :
LC - Lethal concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>208 gm/m3/1H
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 5(5),373,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
225 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 5(5),373,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 5(5),373,1986
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
172 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 5(5),373,1986
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
>3 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 5(5),373,1986 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
20 mg/m3/4H/13W-I
TOXIC EFFECTS :
Brain and Coverings - changes in brain weight Liver - changes in liver weight Related to Chronic Data - changes in testicular weight
REFERENCE :
JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 5(5),373,1986
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
45 mg/m3/3H/13W-I
TOXIC EFFECTS :
Kidney, Ureter, Bladder - changes in bladder weight
REFERENCE :
JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 5(5),373,1986 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 80584 No. of Facilities: 299 (estimated) No. of Industries: 4 No. of Occupations: 12 No. of Employees: 7057 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 80584 No. of Facilities: 502 (estimated) No. of Industries: 4 No. of Occupations: 12 No. of Employees: 20492 (estimated) No. of Female Employees: 16580 (estimated)
毒理学数据:

1、皮肤/眼睛刺激:兔子眼睛标准德雷兹染眼实验:3mg 对眼睛有中等强度的刺激作用。

2、急性毒性:大鼠经口LD5O:1800mg/kg

大鼠吸入LD50:>208gm/m3/1H

大鼠经腹膜LD5O:225mg/kg

小鼠经口LC5O:3gm/kg

小鼠经腹膜LC5O:172mg/kg

豚鼠皮肤LD:>3gm/kg

3、其他多剂量毒性:大鼠吸入TDLO:20mg/m3/4H/13W-I

苯磺酸锌 MSDS


Section 1. Chemical Product and Company Identification
    Zinc phenolsulfonate        Catalog    
    Z1087, Z1089
    Common Name/
    Number(s).
    Trade Name
    CAS#        127-82-2 [anhydrous CAS    
    no.]
    Manufacturer
    Commercial Name(s)
    Zinc phenolsulfonate

Section 3. Hazards Identification
    Potential Acute Health Effects Hazardous in case of eye contact (irritant). Slightly hazardous in case of skin contact (irritant), of ingestion, of
    inhalation.
    Potential Chronic Health        CARCINOGENIC EFFECTS: Not available.    
    Effects        MUTAGENIC EFFECTS: Not available.    
    TERATOGENIC EFFECTS: Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged exposure is not known to aggravate medical condition.

Section 4. First Aid Measures
    Eye Contact        Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at    
    least 15 minutes. Cold water may be used. Get medical attention.
    Skin Contact        Wash with soap and water. Cover the irritated skin with an emollient. Get medical attention if irritation develops.    
    Cold water may be used.
    Serious Skin Contact        Not available.    
    Inhalation        If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get    
    medical attention.
    Serious Inhalation        Not available.    
    Ingestion        Do NOT induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an    
    unconscious person. If large quantities of this material are swallowed, call a physician immediately. Loosen tight
    clothing such as a collar, tie, belt or waistband.
    Serious Ingestion        Not available.    

Section 5. Fire and Explosion Data
    Flammability of the Product May be combustible at high temperature.
    Auto-Ignition Temperature Not available.
    Flash Points        Not available.    
    Flammable Limits        Not available.    
    These products are carbon oxides (CO, CO2), sulfur oxides (SO2, SO3...). Some metallic oxides.
    Products of Combustion
    Fire Hazards in Presence of Slightly flammable to flammable in presence of heat.
    Various Substances
    Explosion Hazards in Presence Risks of explosion of the product in presence of mechanical impact: Not available.
    of Various Substances        Risks of explosion of the product in presence of static discharge: Not available.    
    Fire Fighting Media        SMALL FIRE: Use DRY chemical powder.    
    and Instructions        LARGE FIRE: Use water spray, fog or foam. Do not use water jet.    
    Special Remarks on        When heated to decomposition it emits irritating and toxic fumes of sulfur oxides and zinc.    
    Fire Hazards
    Special Remarks on Explosion Not available.
    Hazards
    Zinc phenolsulfonate

Section 6. Accidental Release Measures
    Small Spill        Use appropriate tools to put the spilled solid in a convenient waste disposal container. Finish cleaning by    
    spreading water on the contaminated surface and dispose of according to local and regional authority
    requirements.
    Large Spill        Use a shovel to put the material into a convenient waste disposal container. Finish cleaning by spreading water    
    on the contaminated surface and allow to evacuate through the sanitary system.

Section 7. Handling and Storage
    Precautions        Keep away from heat. Keep away from sources of ignition. Ground all equipment containing material. Do not    
    ingest. Do not breathe dust. Avoid contact with eyes. Wear suitable protective clothing. If ingested, seek
    medical advice immediately and show the container or the label.
    Storage        Keep container tightly closed. Keep container in a cool, well-ventilated area. Air Sensitive Sensitive to light.    
    Store in light-resistant containers.

Section 8. Exposure Controls/Personal Protection
    Engineering Controls        Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below    
    recommended exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to
    airborne contaminants below the exposure limit.
    Personal Protection        Splash goggles. Lab coat. Dust respirator. Be sure to use an approved/certified respirator or equivalent.    
    Gloves.
    Personal Protection in Case of Splash goggles. Full suit. Dust respirator. Boots. Gloves. A self contained breathing apparatus should be used
    a Large Spill        to avoid inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist    
    BEFORE handling this product.
    Exposure Limits        Not available.    

Section 9. Physical and Chemical Properties
    Physical state and appearance Solid. (Crystalline solid.)        Odor        Odorless.    
    Astringent Metallic
    Taste
    Molecular Weight        555.86 g/mole    
    White.
    Color
    pH (1% soln/water)        Not available.    
    Boiling Point        Decomposes.    
    Melting Point        Not available.    
    Critical Temperature        Not available.    
    Specific Gravity        >1 (Water = 1)    
    Not applicable.
    Vapor Pressure
    Vapor Density        Not available.    
    Not available.
    Volatility
    Odor Threshold        Not available.    
    Water/Oil Dist. Coeff.        Not available.    
    Ionicity (in Water)        Not available.    
    Dispersion Properties        See solubility in water.    
    Solubility        Easily soluble in cold water, hot water.    
    Zinc phenolsulfonate

Section 10. Stability and Reactivity Data
    The product is stable.
    Stability
    Instability Temperature        Not available.    
    Excess heat, incompatible materials, dust generation
    Conditions of Instability
    Not available.
    Incompatibility with various
    substances
    Corrosivity        Non-corrosive in presence of glass.    
    Special Remarks on        Effloresces in dry air.    
    Reactivity        Loses all water at about 120 deg. C.    
    Air and light sensitive. Turns pink on extended exposure to light and air.
    Incompatible with alkali soaps and ferric salts. Ferric salts turn material red or violet.
    Not available.
    Special Remarks on
    Corrosivity
    Polymerization        Will not occur.    

Section 11. Toxicological Information
    Routes of Entry        Inhalation. Ingestion.    
    Toxicity to Animals        Acute oral toxicity (LD50): 1800 mg/kg [Rat].    
    Chronic Effects on Humans Not available.
    Other Toxic Effects on        Slightly hazardous in case of skin contact (irritant), of ingestion, of inhalation.    
    Humans
    Special Remarks on        Lethal Dose/Conc:    
    Toxicity to Animals        LC [Rat] - Route: Inhalation; Dose: >208 gm/m3/1H    
    LD[Guinea Pig] - Route: Skin; Dose: >3000 mg/kg
    Special Remarks on        Not available.    
    Chronic Effects on Humans
    Special Remarks on other        Acute Potentia Health Effects:    
    Toxic Effects on Humans        Skin: May cause skin irritation.    
    Eyes: Can cause moderate eye irritation with possible pain. May cause corneal damage
    Inhalation: Inhalation of dust may cause nose, throat, respiratory tract irritation. Symptoms may include
    coughing, sneezing, wheezing.
    Ingestion: May be harmful if swallowed. Ingestion of large amounts may cause nausea, vomiting, diarrhea, and
    astringent actions (contacting blood vessels or shrinking mucous membranes.

Section 12. Ecological Information
    Ecotoxicity        Not available.    
    Not available.
    BOD5 and COD
    Products of Biodegradation        Possibly hazardous short term degradation products are not likely. However, long term degradation products may    
    arise.
    Toxicity of the Products        The products of degradation are less toxic than the product itself.    
    of Biodegradation
    Special Remarks on the        Not available.    
    Products of Biodegradation
    Zinc phenolsulfonate

Section 13. Disposal Considerations
    Waste Disposal        Waste must be disposed of in accordance with federal, state and local environmental    
    control regulations.

Section 14. Transport Information
    DOT Classification        Not a DOT controlled material (United States).    
    Not applicable.
    Identification
    Not applicable.
    Special Provisions for
    Transport
    DOT (Pictograms)

Section 15. Other Regulatory Information and Pictograms
    For Zinc Phenolsulfonate (anhydrous CAS no. 127-82-2):
    Federal and State
    Connecticut hazardous material survey.: Zinc phenolsulfonate
    Regulations
    Illinois chemical safety act: Zinc phenolsulfonate
    New York release reporting list: Zinc phenolsulfonate
    Pennsylvania RTK: Zinc phenolsulfonate
    Massachusetts RTK: Zinc phenolsulfonate
    Massachusetts spill list: Zinc phenolsulfonate
    New Jersey: Zinc phenolsulfonate
    New Jersey spill list: Zinc phenolsulfonate
    Louisiana RTK reporting list: Zinc phenolsulfonate
    California Director's List of Hazardous Substances: Zinc phenolsulfonate
    SARA 313 toxic chemical notification and release reporting: Zinc phenolsulfonate (listed as Zinc compounds)
    CERCLA: Hazardous substances.: Zinc phenolsulfonate: 5000 lbs. (2268 kg)
    Zinc Phenolsulfonate, octahydrate is exempt from TSCA Inventory 8(b) listing. However, the anhydrous form
    (CAS no. 127-82-2) is on the TSCA 8(b) inventory.
    California        California prop. 65: This product contains the following ingredients for which the State of California has found    
    to cause cancer which would require a warning under the statute: No products were found.
    Proposition 65
    Warnings
    California prop. 65: This product contains the following ingredients for which the State of California has found
    to cause birth defects which would require a warning under the statute: No products were found.
    Other Regulations        For Zinc Phenolsulfonate (anhydrous CAS no. 127-82-2):    
    EINECS: This product is on the European Inventory of Existing Commercial Chemical Substances (EINECS No.
    204-867-8).
    Canada: Listed on Canadian Domestic Substance List (DSL).
    China: Listed on National Inventory.
    Japan: Listed on National Inventory (ENCS).
    Korea: Not listed on National Inventory (KECI).
    Philippines: Not listed on National Inventory (PICCS).
    Australia: Listed on AICS.
    WHMIS (Canada) Not controlled under WHMIS (Canada).
    Other Classifications
    DSCL (EEC)        R22- Harmful if swallowed.        S26- In case of contact with eyes, rinse    
    R36- Irritating to eyes.        immediately with plenty of water and seek    
    medical advice.
    S46- If swallowed, seek medical advice
    immediately and show this container or label.
    Zinc phenolsulfonate
    Health Hazard
    HMIS (U.S.A.)        2 National Fire Protection    
    1 Flammability
    1 Association (U.S.A.)
    Fire Hazard
    2 0 Reactivity
    Health
    Reactivity
    0
    Specific hazard
    Personal Protection
    E
    WHMIS (Canada)
    (Pictograms)
    DSCL (Europe)
    (Pictograms)
    TDG (Canada)
    (Pictograms)
    ADR (Europe)
    (Pictograms)
    Protective Equipment
    Gloves.
    Lab coat.
    Dust respirator. Be sure to use an
    approved/certified respirator or
    equivalent.
    Splash goggles.


SECTION 16 - ADDITIONAL INFORMATION
N/A

苯磺酸锌 分子结构与计算化学数据

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:2

3.氢键受体数量:8

4.可旋转化学键数量:0

5.互变异构体数量:3

6.拓扑分子极性表面积172

7.重原子数量:23

8.表面电荷:0

9.复杂度:194

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:3

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