草酸氢钾

草酸氢钾 基本信息
CAS号 127-95-7 分子式 C2HKO4
分子量 128.12500 精确质量  127.95100
PSA  77.43000 LogP  -2.17910

等价的CAS号:

127-95-7,127-96-8,583-52-8,10043-22-8,20700-38-3

基本信息 展开↓

CAS号:
127-95-7
3D弹球模型:
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分子式:
C2HKO4
分子量:
128.12500
中文名称:
草酸氢钾
英文名称:
Potassium binoxalate
中文别名:
草酸氢钾;
乙二酸单钾盐;
乙二酸氢钾
英文别名:
Potassium binoxalate;
potassium,2-hydroxy-2-oxoacetate;
Potassium hydrogen oxalate
精确分子量/精确质量:
127.95100
极性分子表面积/PSA:
77.43000
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:
MFCD00036407
EINECS:
204-873-0
InChI:
InChI=1/C2H2O4.2K/c3-1(4)2(5)6;;/h(H,3,4)(H,5,6);;/q;2*+1/p-2

生产制备方法及用途展开↓

制备方法


将12.6g二水合草酸(0.1mol)溶于300mL水中。用18.4g一水合草酸钾(0.1mol)溶于100mL水中。然后在3℃下将草酸钾水溶液加到草酸水溶液中,在0℃放置24h,析出的晶体即为草酸氢钾一水合物。

合成制备方法


将12.6g二水合草酸(0.1mol)溶于300mL水中。用18.4g一水合草酸钾(0.1mol)溶于100mL水中。然后在3℃下将草酸钾水溶液加到草酸水溶液中,在0℃放置24h,析出的晶体即为草酸氢钾一水合物。

用途简介


物化性质展开↓

外观与性状:
白色结晶粉末
沸点:
365.1ºC at 760 mmHg
闪点:
188.8ºC
蒸汽压:
2.51E-06mmHg at 25°C
稳定性相关:

易溶于水,不能从水中重结晶。

其它信息:

一、物性数据

1.       性状:无色晶体

2.       密度(g/mL,25/4℃):2.0

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,0.67kpa或5 mmHg):148

6.       折射率:不确定

7.       闪点(ºC):不确定

8.       比旋光度(ºC):不确定

9.       自燃点或引燃温度(ºC)不确定

10.    蒸气压(kPa,25ºC):不确定

11.    饱和蒸气压(kPa,60ºC):不确定

12.    燃烧热(KJ/mol):不确定

13.    临界温度(ºC):不确定

14.    临界压力(KPa):不确定

15.    油水(辛醇/水)分配系数的对数值:不确定

16.    爆炸上限(%,V/V):不确定

17.    爆炸下限(%,V/V):不确定

18.    溶解性:易溶于水。

安全信息展开↓

包装等级:
III
风险类别:
6.1(b)

合成路线查看所有的合成路线

  • 144-62-7

    草酸

  • +

  • 584-08-7

    碳酸钾

  • 127-95-7

    草酸氢钾

  • 15719-64-9

    15719-64-9

  • 127-95-7

    草酸氢钾

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RO3600000
CHEMICAL NAME :
Oxalic acid, monopotassium salt
CAS REGISTRY NUMBER :
127-95-7
LAST UPDATED :
199701
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C2-H-O4.K
MOLECULAR WEIGHT :
128.13
WISWESSER LINE NOTATION :
QVVO &-KA-

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Vascular - BP lowering not characterized in autonomic section Kidney, Ureter, Bladder - urine volume decreased
REFERENCE :
MMWOAU Muenchener Medicinische Wochenschrift. (Munich, Fed. Rep. Ger.) V.33-115, 1886-1973. Volume(issue)/page/year: 79,1481,1932
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
660 mg/kg
TOXIC EFFECTS :
Gastrointestinal - nausea or vomiting Kidney, Ureter, Bladder - other changes in urine composition
REFERENCE :
MMWOAU Muenchener Medicinische Wochenschrift. (Munich, Fed. Rep. Ger.) V.33-115, 1886-1973. Volume(issue)/page/year: 79,1481,1932
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Behavioral - fluid intake Vascular - BP elevation not characterized in autonomic section Gastrointestinal - nausea or vomiting
REFERENCE :
MMWOAU Muenchener Medicinische Wochenschrift. (Munich, Fed. Rep. Ger.) V.33-115, 1886-1973. Volume(issue)/page/year: 79,1481,1932
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
1071 mg/kg
TOXIC EFFECTS :
Behavioral - general anesthetic Gastrointestinal - changes in structure or function of esophagus Gastrointestinal - nausea or vomiting
REFERENCE :
MLDCAS Medecine Legale et Dommage Corporel. (Paris, France) V.1-7, 1968-74. Discontinued. Volume(issue)/page/year: 4,178,1971 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 81946 No. of Facilities: 14 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 294 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 81946 No. of Facilities: 349 (estimated) No. of Industries: 2 No. of Occupations: 3 No. of Employees: 2879 (estimated) No. of Female Employees: 1462 (estimated)
毒理学数据:

1、急性毒性:女人经口TDLO:100mg/kg

女人经口LDLO:660mg/kg

女人经口TDLO:400mg/kg

男人经静脉注射TDLO:1071mg/kg

MSDS 展开↓


Section 1. Chemical Product and Company Identification
    Potassium binoxalate        Catalog    
    YY289, P1187
    Common Name/
    Number(s).
    Trade Name
    CAS#        127-95-7    
    Manufacturer
    RTECS        RO3600000    
    SPECTRUM CHEMICAL MFG. CORP.
    TSCA        TSCA 8(b) inventory:    
    Potassium binoxalate
    Commercial Name(s)        Not available.    
    CI# Not available.
    Synonym        Not available.    
    IN CASE OF EMERGENCY
    Not available.
    Chemical Name
    Chemical Family        Not available.        CALL (310) 516-8000    
    C2HKO4
    Chemical Formula
    SPECTRUM CHEMICAL MFG. CORP.

Section 2.Composition and Information on Ingredients
    Exposure Limits
    TWA (mg/m3)        STEL (mg/m3) CEIL (mg/m3)    
    Name        CAS #        % by Weight    
    1) Potassium binoxalate        127-95-7        100    
    Toxicological Data        Potassium binoxalate    
    on Ingredients        LD50: Not available.    
    LC50: Not available.

Section 3. Hazards Identification
    Potential Acute Health Effects Very hazardous in case of eye contact (irritant), of ingestion. Hazardous in case of skin contact (irritant), of
    inhalation. Inflammation of the eye is characterized by redness, watering, and itching.
    Potential Chronic Health        Very hazardous in case of eye contact (irritant), of ingestion.    
    Effects        Hazardous in case of skin contact (irritant), of inhalation.    
    CARCINOGENIC EFFECTS: Not available.
    MUTAGENIC EFFECTS: Not available.
    TERATOGENIC EFFECTS: Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    The substance is toxic to kidneys, lungs, mucous membranes.
    Repeated or prolonged exposure to the substance can produce target organs damage.
    Potassium binoxalate

Section 4. First Aid Measures
    Eye Contact        Check for and remove any contact lenses. Immediately flush eyes with running water for at least 15 minutes,    
    keeping eyelids open. Cold water may be used. Do not use an eye ointment. Seek medical attention.
    Skin Contact        After contact with skin, wash immediately with plenty of water. Gently and thoroughly wash the contaminated skin    
    with running water and non-abrasive soap. Be particularly careful to clean folds, crevices, creases and groin.
    Cold water may be used. Cover the irritated skin with an emollient. If irritation persists, seek medical attention.
    Wash contaminated clothing before reusing.
    Serious Skin Contact        Wash with a disinfectant soap and cover the contaminated skin with an anti-bacterial cream. Seek medical    
    attention.
    Inhalation        Allow the victim to rest in a well ventilated area. Seek immediate medical attention.    
    Serious Inhalation        Not available.    
    Ingestion        Do not induce vomiting. Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not    
    breathing, perform mouth-to-mouth resuscitation. Seek immediate medical attention.
    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). Some metallic oxides.
    Products of Combustion
    Fire Hazards in Presence of Not available.
    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        Not available.    
    Fire Hazards
    Special Remarks on Explosion Not available.
    Hazards

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.
    Potassium binoxalate

Section 7. Handling and Storage
    Precautions        Keep away from heat. Keep away from sources of ignition. Empty containers pose a fire risk, evaporate the    
    residue under a fume hood. Ground all equipment containing material. Do not breathe dust. In case of
    insufficient ventilation, wear suitable respiratory equipment If you feel unwell, seek medical attention and show the
    label when possible. Avoid contact with skin and eyes
    Storage        Keep container dry. Keep in a cool place. Ground all equipment containing material. Keep container tightly    
    closed. Keep in a cool, well-ventilated place. Combustible materials should be stored away from extreme heat
    and away from strong oxidizing agents.

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. (Hygroscopic powder.)        Odor        Odorless.    
    Taste        Bitter. Sharp biting.    
    128.13 g/mole
    Molecular Weight
    Color        White.    
    pH (1% soln/water)        Not available.    
    Boiling Point        Not available.    
    Melting Point        Decomposes.    
    Critical Temperature        Not available.    
    Specific Gravity        2.088 (Water = 1)    
    Not applicable.
    Vapor Pressure
    Vapor Density        Not available.    
    Volatility        Not available.    
    Odor Threshold        Not available.    
    Water/Oil Dist. Coeff.        Not available.    
    Not available.
    Ionicity (in Water)
    Dispersion Properties        See solubility in water.    
    Partially soluble in cold water.
    Solubility
    Insoluble in methanol, diethyl ether.

Section 10. Stability and Reactivity Data
    Stability        The product is stable.    
    Instability Temperature        Not available.    
    Conditions of Instability        Not available.    
    Incompatibility with various Not available.
    substances
    Potassium binoxalate
    Non-corrosive in presence of glass.
    Corrosivity
    Special Remarks on        Not available.    
    Reactivity
    Special Remarks on        Not available.    
    Corrosivity
    No.
    Polymerization

Section 11. Toxicological Information
    Routes of Entry        Eye contact. Inhalation. Ingestion.    
    Toxicity to Animals        LD50: Not available.    
    LC50: Not available.
    Chronic Effects on Humans The substance is toxic to kidneys, lungs, mucous membranes.
    Other Toxic Effects on        Very hazardous in case of ingestion.    
    Humans
    Hazardous in case of skin contact (irritant), of inhalation.
    Special Remarks on        Not available.    
    Toxicity to Animals
    Special Remarks on        Not available.    
    Chronic Effects on Humans
    Special Remarks on other        Not available.    
    Toxic Effects on Humans

Section 12. Ecological Information
    Not available.
    Ecotoxicity
    BOD5 and COD        Not available.    
    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 more toxic.    
    of Biodegradation
    Special Remarks on the        Not available.    
    Products of Biodegradation

Section 13. Disposal Considerations
    Waste Disposal

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

Section 15. Other Regulatory Information and Pictograms
    TSCA 8(b) inventory: Potassium binoxalate
    Federal and State
    Regulations
    California
    Proposition 65
    Warnings
    Other Regulations        OSHA: Hazardous by definition of Hazard Communication Standard (29 CFR 1910.1200).    
    WHMIS (Canada) CLASS D-2A: Material causing other toxic effects (VERY TOXIC).
    Other Classifications
    DSCL (EEC)        R38- Irritating to skin.    
    R41- Risk of serious damage to eyes.
    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. Wear appropriate respirator
    when ventilation is inadequate.
    Potassium binoxalate


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、   疏水参数计算参考值(XlogP):

2、   氢键供体数量:1

3、   氢键受体数量:4

4、   可旋转化学键数量:1

5、   互变异构体数量:

6、   拓扑分子极性表面积(TPSA):77.4

7、   重原子数量:7

8、   表面电荷:0

9、   复杂度:87.7

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:2

上下游相关产品

上游产品

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  • 144-62-7

    草酸

  • 584-08-7

    碳酸钾

下游产品

更多
  • 64-18-6

    甲酸

  • 144-62-7

    草酸

  • 584-08-7

    碳酸钾

  • 547-66-0

    二水草酸镁

  • 298-14-6

    碳酸氢钾

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