6851-36-1

• 常用中文名：DL-4-羟基扁桃腈
• 常用英文名：DL-4-Hydroxymandelonitrile
• CAS号：6851-36-1
• 分子式：C₈H₇NO₂
• 分子量：149.14700
• 发布时间：2018-04-25 08:00:00
• 更新时间：2024-01-10 19:45:08

名称

• 中文名: DL-4-羟基扁桃腈
• 英文名: DL-4-Hydroxymandelonitrile

物化性质

• 熔点: 98ºC
• 分子式: C₈H₇NO₂
• 分子量: 149.14700
• 精确质量: 149.04800
• PSA: 64.25000
• LogP: 0.94918
• 计算化学:

  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

MSDS

Section I.Chemical Product and Company Identification Chemical Name DL-4-Hydroxymandelonitrile Portland OR SynonymDL-alpha,p-Dihydroxyphenylacetonitrile Chemical FormulaHOC6H4CH(OH)CN CAS Number6851-36-1 Section II.Composition and Information on Ingredients Chemical NameCAS Number Percent (%)TLV/PELToxicology Data DL-4-Hydroxymandelonitrile6851-36-1Min. 98.0 (T) Not available.Not available. Section III. Hazards Identification Acute Health EffectsHarmful 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 EffectsCARCINOGENIC 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. IngestionINDUCE 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. FlammabilityMay be combustible at high temperature.Auto-Ignition Flash PointsFlammable LimitsNot 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 CleanupHarmful material. Irritating material. InstructionsIn 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 ControlsUse 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 ProtectionSplash 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 LimitsNot available. Section IX. Physical and Chemical Properties Solubility Physical state @ 20°CPowder.Soluble in ethanol. Not available. Specific Gravity Molecular Weight149.15Partition CoefficientNot available. Boiling PointNot available.Vapor PressureNot available. Melting Point99 to 102°C (210.2 to 215.6°F)Vapor DensityNot available. Not available.VolatilityNot available. Refractive Index Critical TemperatureNot available.OdorNot available. ViscosityNot available.TasteNot available. Section X.Stability and Reactivity Data Stability This material is stable if stored under proper conditions. (See Section VII for instructions) Conditions of InstabilityMay 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 NumberNot available. Eye contact. Ingestion. Inhalation. Skin contact. Routes of Exposure Toxicity DataNot available. Chronic Toxic EffectsCARCINOGENIC 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 EffectsHarmful 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 EcotoxicityNot available. Environmental FateNot 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 ClassificationNot a DOT controlled material (United States). PIN NumberNot applicable. Proper Shipping Name Not applicable. Packing Group (PG)Not applicable. DOT Pictograms Section XV. Other Regulatory Information and Pictograms TSCA Chemical InventoryThis 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 ClassificationNot available. (Canada) EINECS Number (EEC) Not available. EEC Risk StatementsR20/21/22- 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

安全

• 风险声明 (欧洲): 20/21/22
• 安全声明 (欧洲): 26-36/37/39
• 危险品运输编码: UN 3276