盐酸哌甲酯; alpha-苯基-2-哌啶乙酸甲酯盐酸盐

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品

盐酸哌甲酯; alpha-苯基-2-哌啶乙酸甲酯盐酸盐 基本信息

中文名称:
盐酸哌甲酯; alpha-苯基-2-哌啶乙酸甲酯盐酸盐 
中文别名:
盐酸哌甲酯;
alpha-苯基-2-哌啶乙酸甲酯盐酸盐 
英文名称:
2-Piperidineaceticacid, a-phenyl-, methyl ester,hydrochloride (1:1)
英文别名:
methylphenidate hydrochloride;
Methylphenidate hydrochloride;
Methylphenidate Hydrochloride;
Methyl 2-phenyl-2-(piperidin-2-yl)acetate hydrochloride 
CAS No.:
298-59-9
分 子 式:
C14H19NO2.ClH
分 子 量:
269.77
精确分子量:
269.11800
PSA:
38.33000
EINECS:
206-065-3
InChI:
InChI=1/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3/t12-,13+/m0/s1
危险品标志:
风险术语:
R22;R42   
安全术语:
S22;S26;S36
分子结构式:
SDS:
查看

盐酸哌甲酯; alpha-苯基-2-哌啶乙酸甲酯盐酸盐 物化性质

外观与性状:
白色结晶粉末
密度:
1.07g/cm3
熔点:
224 - 226ºC
沸点:
327.6ºC at 760 mmHg
闪点:
152ºC
折射率:
1.523
蒸汽压:
0.000199mmHg at 25°C

盐酸哌甲酯; alpha-苯基-2-哌啶乙酸甲酯盐酸盐 安全信息

包装等级:
III
风险类别:
6.1(b)
海关代码:
2933399090
危险类别码:
R22;R42
安全说明:
22-26-36
危险标志:
Xn: Harmful;

盐酸哌甲酯; alpha-苯基-2-哌啶乙酸甲酯盐酸盐 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TM3850000
CHEMICAL NAME :
2-Piperidineacetic acid, alpha-phenyl-, methyl ester, hydrochloride
CAS REGISTRY NUMBER :
298-59-9
LAST UPDATED :
199712
DATA ITEMS CITED :
22
MOLECULAR FORMULA :
C14-H19-N-O2.Cl-H
MOLECULAR WEIGHT :
269.80
WISWESSER LINE NOTATION :
T6MTJ BYR&VO1 &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - child
DOSE/DURATION :
32 mg/kg/6W-I
TOXIC EFFECTS :
Behavioral - toxic psychosis
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
350 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
170 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CLDND* Compilation of LD50 Values of New Drugs. (J.R. MacDougal, Dept. of National Health and Welfare, Food and Drug Divisions, 35 John St., Ottawa, Ont., Canada)
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
50 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
60 mg/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay)
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
96500 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
150 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
40 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
900 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CLDND* Compilation of LD50 Values of New Drugs. (J.R. MacDougal, Dept. of National Health and Welfare, Food and Drug Divisions, 35 John St., Ottawa, Ont., Canada)
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
170 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CLDND* Compilation of LD50 Values of New Drugs. (J.R. MacDougal, Dept. of National Health and Welfare, Food and Drug Divisions, 35 John St., Ottawa, Ont., Canada)
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
30 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CLDND* Compilation of LD50 Values of New Drugs. (J.R. MacDougal, Dept. of National Health and Welfare, Food and Drug Divisions, 35 John St., Ottawa, Ont., Canada) ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
6370 mg/kg/13W-C
TOXIC EFFECTS :
Brain and Coverings - changes in brain weight Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5320 mg/kg/14D-C
TOXIC EFFECTS :
Liver - changes in liver weight Kidney, Ureter, Bladder - changes in bladder weight Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
6370 mg/kg/13W-C
TOXIC EFFECTS :
Liver - other changes Liver - changes in liver weight
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
28 mg/kg/14D-C
TOXIC EFFECTS :
Liver - changes in liver weight
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
18250 mg/kg/2Y-C
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Liver - tumors

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Rodent - hamster Ovary
DOSE/DURATION :
702 mg/L
REFERENCE :
EMMUEG Environmental and Molecular Mutagenesis. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.10- 1987- Volume(issue)/page/year: 10(Suppl 10),1,1987 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6175 No. of Facilities: 46 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 697 (estimated) No. of Female Employees: 366 (estimated)

盐酸哌甲酯; alpha-苯基-2-哌啶乙酸甲酯盐酸盐 MSDS


Section 1. Chemical Product and Company Identification
    Methylphenidate Hydrochloride
    Common Name/
    Trade Name
    Manufacturer
    Commercial Name(s)
    Synonym
    Chemical Name
    Chemical Family
    Methylphenidate Hydrochloride

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 if irritation occurs.
    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 550°C (1022°F)
    Flash Points        Not available.    
    Flammable Limits        Not available.    
    These products are carbon oxides (CO, CO2), nitrogen oxides (NO, NO2...).
    Products of Combustion
    Fire Hazards in Presence of Slightly flammable to flammable in presence of heat.
    Various Substances        Non-flammable in presence of open flames and sparks.    
    Explosion Hazards in Presence Slightly explosive in presence of open flames and sparks.
    of Various Substances        Non-explosive in presence of shocks.    
    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        As with most organic solids, fire is possible at elevated temperatures    
    Fire Hazards
    Special Remarks on Explosion Fine dust dispersed in air in sufficient concentrations, and in the presences of an ignition source is a potential dust
    Hazards        explosion hazard.    

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.
    Methylphenidate Hydrochloride

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. Wear suitable protective clothing. In case of insufficient ventilation, wear suitable
    respiratory equipment. If ingested, seek medical advice immediately and show the container or the label. Keep
    away from incompatibles such as alkalis.
    Storage        Keep container tightly closed. Keep container in a cool, well-ventilated area.    

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        Safety glasses. 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.        Odor        Odorless.    
    Not available.
    Taste
    Molecular Weight        269.77 g/mole    
    White.
    Color
    Not available.
    pH (1% soln/water)
    Boiling Point        Not available.    
    Melting Point        224°C (435.2°F)    
    Critical Temperature        Not available.    
    Specific Gravity        Not available.    
    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, methanol.    
    Solubility        Easily soluble in cold water, methanol.    
    Very slightly soluble in acetone.
    Soluble in alcohol.
    Slightly soluble in Chloroform.
    Methylphenidate Hydrochloride

Section 10. Stability and Reactivity Data
    The product is stable.
    Stability
    Instability Temperature        Not available.    
    Heat, incompatible materials
    Conditions of Instability
    Reactive with alkalis.
    Incompatibility with various
    substances
    Corrosivity        Not available.    
    Special Remarks on        Not available.    
    Reactivity
    Special Remarks on        Not available.    
    Corrosivity
    Polymerization        Will not occur.    

Section 11. Toxicological Information
    Routes of Entry        Absorbed through skin. Inhalation. Ingestion.    
    Toxicity to Animals        Acute oral toxicity (LD50): 60 mg/kg [Mouse].    
    Chronic Effects on Humans May cause damage to the following organs: cardiovascular system, central nervous system (CNS).
    Other Toxic Effects on        Hazardous in case of ingestion, of inhalation.    
    Humans        Slightly hazardous in case of skin contact (irritant, sensitizer, permeator).    
    Special Remarks on        Not available.    
    Toxicity to Animals
    Special Remarks on        May cause cancer based on animal test data.    
    Chronic Effects on Humans
    May affect genetic material (mutagenic)
    Special Remarks on other        Acute Potential Health Effects:    
    Toxic Effects on Humans        Skin: May cause skin irritation. It may be absorbed through broken skin.    
    Eyes: May cause eye irritation.
    Inhalation: May cause respiratory tract irritation and cause sneezing, coughing, hypersensitivity and other
    symptoms similar to ingestion.
    Ingestion: Harmful if swallowed. It is a narcotic. It may cause nausea, stomach pain, dry mouth, and vomiting. It
    may affect behavior/central nervous system, cardiovascular system, urinary system, brain, liver, blood. Other
    adverse health effects may include: fast heartbeat, heart palpitations, increased blood pressure, irregular heart
    beat, bruising, skin rash, fever, sweating, loss of appetite, uncontrolled movements, joint pain, nervousness,
    dizziness, sleepiness, agitiation, insomnia, confusion, tremors, muscle twitching, delirium, hallucinations, sense of
    well-being, convulsions possibly followed by coma.
    Chronic Potential Health Effects:
    Skin: Repeated or prolonged skin contact may cause hypersensitivity.
    Ingestion: Repeated or prolonged ingestion may cause habituation or addiction. Prolonged or repeated ingestion
    may also cause sensitization (hypersensitivity) and develop skin rashes, coughs, stuffy nose, asthma, and other
    allergic reactions. Hypersensitivity may develop immediately after contact or after years of exposure. Prolonged
    ingestion may also cause weight loss.
    Medical conditions aggravated by exposure: severe anxiety, tension or agitation, severe depression, glaucoma,
    motor tics, Tourette's Syndrome, and high blood pressure.
    Methylphenidate Hydrochloride

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

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
    No products were found.
    Federal and State
    Regulations
    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        OSHA: Hazardous by definition of Hazard Communication Standard (29 CFR 1910.1200).    
    EINECS: This product is on the European Inventory of Existing Commercial Chemical Substances.
    WHMIS (Canada) Not controlled under WHMIS (Canada).
    Other Classifications
    DSCL (EEC)        R22- Harmful if swallowed.        S2- Keep out of the reach of children.    
    S46- If swallowed, seek medical advice
    immediately and show this container or label.
    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
    Methylphenidate Hydrochloride
    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.
    Methylphenidate Hydrochloride
    All chemicals may pose unknown hazards and should be used with caution. This Material Safety Data Sheet (MSDS) applies only to the material as packaged. If this product is
    combined with other materials, deteriorates, or becomes contaminated, it may pose hazards not mentioned in this MSDS. It shall be the user's responsibility to develop proper
    methods of handling and personal protection based on the actual conditions of use. While this MSDS is based on technical data judged to be reliable, Spectrum Quality Products,


SECTION 16 - ADDITIONAL INFORMATION
N/A

盐酸哌甲酯; alpha-苯基-2-哌啶乙酸甲酯盐酸盐 海关数据

中国海关编码:2933399090

概述:
2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

盐酸哌甲酯; alpha-苯基-2-哌啶乙酸甲酯盐酸盐 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:3

4.可旋转化学键数量:4

5.互变异构体数量:无

6.拓扑分子极性表面积:38.3

7.重原子数量:18

8.表面电荷:0

9.复杂度:249

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:2

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

盐酸哌甲酯; alpha-苯基-2-哌啶乙酸甲酯盐酸盐 上游产品

盐酸哌甲酯; alpha-苯基-2-哌啶乙酸甲酯盐酸盐 下游产品

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