DL-4-羟基扁桃腈

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 结构与计算化学

DL-4-羟基扁桃腈 基本信息

中文名称:
DL-4-羟基扁桃腈 
中文别名:
DL-4-羟基扁桃腈 
英文名称:
DL-4-Hydroxymandelonitrile
英文别名:
DL-4-Hydroxymandelonitrile;
DL-4-HYDROXYMANDELONITRILE;
DL-ALPHA,4-DIHYDROXYPHENYLACETONITRILE;
Hydroxymandlonitrile;
4-Hydroxymandelonitrile;
4-HYDROXYMANDELONITRILE 98+%;
DL-p-Hydroxymandelonitrile;
DL-α,p-Dihydroxyphenylacetonitrile;
p-Hydroxy-DL-mandelonitrile 
CAS No.:
6851-36-1
分 子 式:
C8H7NO2
分 子 量:
149.15
精确分子量:
149.04800
PSA:
64.25000
风险术语:
R20/21/22
安全术语:
S26S36/S37/S39
分子结构式:
SDS:
查看

DL-4-羟基扁桃腈 物化性质

熔点:
98ºC

DL-4-羟基扁桃腈 安全信息

危险类别码:
20/21/22
安全说明:
26-36/37/39
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。
:

DL-4-羟基扁桃腈 MSDS


Section I.Chemical Product and Company Identification
    Chemical Name DL-4-Hydroxymandelonitrile
    Portland OR
    Synonym        DL-alpha,p-Dihydroxyphenylacetonitrile    
    Chemical Formula        HOC6H4CH(OH)CN    
    CAS Number        6851-36-1    

Section II.        Composition and Information on Ingredients    
    Chemical Name        CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    DL-4-Hydroxymandelonitrile        6851-36-1        Min. 98.0 (T) Not available.        Not available.    

Section III. Hazards Identification
    Acute Health Effects        Harmful if ingested or inhaled. Minimize exposure to this material. Severe overexposure can result in injury or death.    
    Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the
    eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening,
    or, occasionally, blistering. Follow safe industrial hygiene practices and always wear proper protective equipment when
    handling this compound.
    Chronic Health Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is
    not known to aggravate existing medical conditions.

Section IV.        First Aid Measures    
    Eye Contact
    Check for and remove any contact lenses. IMMEDIATELY flush eyes with runing water for at least 15 minutes. keeping
    eyelids open. COLD water may be used. DO NOT use an eye oitment. Flush eyes with running water for a minimum of
    15 minutes, occasionally lifting the upper eyelids. Seek medical attention. Treat symptomatically and supportively.
    Skin Contact
    After contact with skin, wash immediately with plenty of water. Gently and thorough 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. Seek medical attention. Treat symptomatically and supportively.
    Wash any contaminated clothing before reusing.
    If the victim is not breathing, perform artificial respiration. Loosen tight clothing such as a collar, tie, belt or waistband. If
    Inhalation
    breathing is difficult, oxygen can be administered. Seek medical attention. Treat symptomatically and supportively.
    Ingestion        INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.    
    Loosen tight clothing such as a collar, tie, belt, or waistband. If the victim is not breathing, administer artificial respiration.
    Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic material
    was ingested; the absence of such signs, however, is not conclusive. Seek immediate medical attention and, if possible,
    show the chemical label. Treat symptomatically and supportively.

Section V.        Fire and Explosion Data    
    Not available.
    Flammability        May be combustible at high temperature.        Auto-Ignition    
    Flash Points        Flammable Limits        Not available.    
    Not available.
    Combustion Products
    These products are toxic carbon oxides (CO, CO 2), nitrogen oxides (NOx).
    WARNING: Very toxic cyanide gas may be produced in a fire. Do not inhale.
    Fire Hazards
    No specific information is available regarding the flammability of this compound in the presence of various materials.
    Risks of explosion of the product in presence of mechanical impact: Not available.
    Explosion Hazards
    Risks of explosion of the product in presence of static discharge: Not available.
    No additional information is available regarding the risks of explosion.
    Fire Fighting Media
    SMALL FIRE: Use DRY chemicals, CO 2, water spray or foam.
    LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
    and Instructions
    Continued on Next Page
    DSD/Pictograms (Europe)mpa

Section VI.        Accidental Release Measures    
    Spill Cleanup        Harmful material. Irritating material.    
    Instructions        In case of a spill and/or a leak, always shut off any sources of ignition, ventilate the area, and exercise caution. Use a    
    shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any
    contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on
    disposal.

Section VII. Handling and Storage
    HARMFUL. IRRITANT. Keep away from heat and sources of ignition. Mechanical exhaust required. When not in use,
    Handling and Storage
    tightly seal the container and store in a dry, cool place. Avoid excessive heat and light. DO NOT breathe dust.
    Information
    Always store away from incompatible compounds such as oxidizing agents, reducing agents, acids, alkalis (bases).

Section VIII. 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. Boots. Gloves. Be sure to use a MSHA/NIOSH approved respirator or    
    equivalent. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling this product.
    Exposure Limits        Not available.    

Section IX. Physical and Chemical Properties
    Solubility
    Physical state @ 20°C        Powder.        Soluble in ethanol.    
    Not available.
    Specific Gravity
    Molecular Weight        149.15        Partition Coefficient        Not available.    
    Boiling Point        Not available.        Vapor Pressure        Not available.    
    Melting Point        99 to 102°C (210.2 to 215.6°F)        Vapor Density        Not available.    
    Not available.        Volatility        Not available.    
    Refractive Index
    Critical Temperature        Not available.        Odor        Not available.    
    Viscosity        Not available.        Taste        Not available.    

Section X.        Stability and Reactivity Data    
    Stability    
This material is stable if stored under proper conditions. (See Section VII for instructions)    
    Conditions of Instability        May decompose on exposure to moist air or water. Avoid excessive heat and light.    
    Incompatibilities
    Reactive with strong oxidizing agents, strong reducing agents, strong acids, strong alkalis (bases).

Section XI. Toxicological Information
    RTECS Number        Not available.    
    Eye contact. Ingestion. Inhalation. Skin contact.
    Routes of Exposure
    Toxicity Data        Not available.    
    Chronic Toxic Effects        CARCINOGENIC EFFECTS : Not available.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    There is no known effect from chronic exposure to this product. Repeated or prolonged exposure to this compound is not
    known to aggravate existing medical conditions.
    Acute Toxic Effects        Harmful if ingested or inhaled. Minimize exposure to this material. Severe overexposure can result in injury or death.    
    Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system. Inflammation of the
    eye is characterized by redness, watering, and itching. Skin inflammation is characterized by itching, scaling, reddening,
    or, occasionally, blistering. Follow safe industrial hygiene practices and always wear proper protective equipment when
    handling this compound.
    Continued on Next Page
    DL-4-Hydroxymandelonitrile

Section XII.        Ecological Information    
    Ecotoxicity        Not available.    
    Environmental Fate        Not available.    

Section XIII. Disposal Considerations
    Recycle to process, if possible. Consult your local or regional authorities. You may be able to dissolve or mix material with
    Waste Disposal
    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 XIV. Transport Information
    DOT Classification        Not a DOT controlled material (United States).    
    PIN Number        Not applicable.    
    Proper Shipping Name
    Not applicable.
    Packing Group (PG)        Not applicable.    
    DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40    
    CFR 720.36 (C) for those products not on the inventory list:
    (EPA)
    (i) These products are supplied solely for use in research and development by or under the supervision of a technically
    qualified individual as defined in 40 CFR 720.0 et sec.
    (ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be
    supplied on an MSDS sheet.
    WHMIS Classification        Not available.    
    (Canada)
    EINECS Number (EEC) Not available.
    EEC Risk Statements        R20/21/22- Harmful by inhalation, in contact with skin and if swallowed.    
    R36/37/38- Irritating to eyes, respiratory system and skin.


SECTION 16 - ADDITIONAL INFORMATION
N/A

DL-4-羟基扁桃腈 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):7.7

2.氢键供体数量:0

3.氢键受体数量:0

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积0

7.重原子数量:18

8.表面电荷:0

9.复杂度:274

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:1

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