6851-36-1

6851-36-1结构式
6851-36-1结构式

化源商城直购

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


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
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