盐酸依替福林; 4-羟基-alpha-((乙基氨基)甲基)-苄醇盐酸盐

  • 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
  • 下游产品
  • 表征图谱

盐酸依替福林; 4-羟基-alpha-((乙基氨基)甲基)-苄醇盐酸盐 基本信息

中文名称:
盐酸依替福林; 4-羟基-alpha-((乙基氨基)甲基)-苄醇盐酸盐 
中文别名:
盐酸依替福林;
4-羟基-alpha-((乙基氨基)甲基)-苄醇盐酸盐 
英文名称:
Etilefrine hydrochloride
英文别名:
3-[2-(ethylamino)-1-hydroxyethyl]phenol,hydrochloride;
Thomasin;
Efortil;
Etilefrin-HCl;
Effontil;
Etilefrine HCl;
3-[2-(ethylamino)-1-hydroxyethyl]phenol hydrochloride;
etilefrine hydrochloride;
N-Ethyl-1-(m-hydroxyphenyl)-2-aminoethanol hydrochloride;
Circupon;
Effortil*HCl;
Cardanat 
CAS No.:
943-17-9
分 子 式:
C10H16ClNO2
分 子 量:
217.69
精确分子量:
217.08700
PSA:
52.49000
EINECS:
213-398-8
分子结构式:
SDS:
查看

盐酸依替福林; 4-羟基-alpha-((乙基氨基)甲基)-苄醇盐酸盐 物化性质

密度:
1.127g/cm3
熔点:
122ºC
沸点:
351.7ºC at 760 mmHg
闪点:
155.5ºC
其它信息:

1.      性状:未确定

2.      密度(g/mL,25/4):未确定

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):122 °C

5.      沸点(ºC,常压):未确定

6.      沸点(ºC,5.2kPa):未确定

7.      折射率:未确定

8.      闪点(ºC):未确定

9.      比旋光度(º):未确定

10.   自燃点或引燃温度(ºC):未确定

11.   蒸气压(kPa,25ºC):未确定

12.   饱和蒸气压(kPa,60ºC):未确定

13.   燃烧热(KJ/mol):未确定

14.   临界温度(ºC):未确定

15.   临界压力(KPa):未确定

16.   油水(辛醇/水)分配系数的对数值:未确定

17.   爆炸上限(%,V/V):未确定

18.   爆炸下限(%,V/V):未确定

19.   溶解性:未确定

盐酸依替福林; 4-羟基-alpha-((乙基氨基)甲基)-苄醇盐酸盐 安全信息

海关代码:
2922509090

盐酸依替福林; 4-羟基-alpha-((乙基氨基)甲基)-苄醇盐酸盐 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DO5618000
CHEMICAL NAME :
Benzyl alcohol, alpha-((ethylamino)methyl)-m-hydroxy-, hydrochloride
CAS REGISTRY NUMBER :
943-17-9
LAST UPDATED :
199806
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C10-H15-N-O2.Cl-H
MOLECULAR WEIGHT :
217.72
WISWESSER LINE NOTATION :
QR CYQ1M2 &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
187 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 4,413,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>420 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,187,1990
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
3 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,225,1995
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
345 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 4,413,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
860 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,115,1982
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
11 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 4,413,1979
毒理学数据:

1、急性毒性:小鼠口经LD50345mg/kg;大鼠口经LD50187mg/kg

2、急性毒性:小鼠静脉LD5011mg/kg;大鼠静脉LD503mg/kg

3、急性毒性:小鼠皮下LD50860mg/kg;大鼠皮下LD50>420mg/kg

盐酸依替福林; 4-羟基-alpha-((乙基氨基)甲基)-苄醇盐酸盐 MSDS


Section I.Chemical Product and Company Identification
    Chemical Name Etilefrine Hydrochloride
    Portland OR
    Benzenemethanol,
    Synonym
    α-[(ethylamino)methyl]-3-hydroxy-hydrochloride (9CI)
    HOC6H4CH(OH)CH2NHCH2CH3•HCl
    Chemical Formula
    CAS Number        943-17-9    

Section II.        Composition and Information on Ingredients    
    Chemical Name        CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    Etilefrine Hydrochloride        943-17-9        Min. Not available.        Rat LD50 (intravenous) 5 mg/kg    
    98.0%(Tit.)        Mouse LD50 (subcutaneous) 860    
    mg/kg
    Rat LDLO (oral) 187 mg/kg

Section III. Hazards Identification
    Harmful if ingested or inhaled. Minimize exposure to this material. Severe overexposure can result in injury or death.
    Acute Health Effects
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
    CARCINOGENIC EFFECTS : Not available.
    Chronic Health Effects
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    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. In case of contact, immediately flush eyes with plenty of water for at least 15    
    minutes. Get medical attention.
    Skin Contact        In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing    
    before reuse. Thoroughly clean shoes before reuse. Get medical attention.
    If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or
    Inhalation
    waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
    improve.
    INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.
    Ingestion
    Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
    resuscitation. 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.

Section V.        Fire and Explosion Data    
    Auto-Ignition        Not available.    
    Flammability        May be combustible at high temperature.    
    Flash Points        Flammable Limits        Not available.    
    Not available.
    Combustion Products        These products are toxic carbon oxides (CO, CO2), nitrogen oxides (NO, NO2).    
    WARNING: Highly toxic HCl gas is produced during combustion.
    Fire Hazards
    Not available.
    Explosion Hazards        Risks of explosion of the product in presence of mechanical impact: Not available.    
    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.    
    Consult with local fire authorities before attempting large scale fire-fighting operations.
    Continued on Next Page
    Etilefrine Hydrochloride

Section VI.        Accidental Release Measures    
    Spill Cleanup        Harmful Material.    
    Use a shovel to put the material into a convenient waste disposal container. Finish cleaning the spill by rinsing any
    Instructions
    contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on
    disposal.

Section VII. Handling and Storage
    Handling and Storage        HARMFUL. Keep away from heat. Mechanical exhaust required. When not in use, 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.

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

Section IX. Physical and Chemical Properties
    Physical state @ 20°C        Solid. (White Crystalline powder.)        Solubility        Not available.    
    Not available.
    Specific Gravity
    Molecular Weight        217.69        Partition Coefficient        Not available.    
    Boiling Point        Not available.        Vapor Pressure        Not applicable.    
    Melting Point        122°C (251.6°F)        Vapor Density        Not available.    
    Not available.        Volatility        Not available.    
    Refractive Index
    Not available.
    Critical Temperature        Not available.        Odor    
    Not available.        Not available.    
    Viscosity        Taste    

Section X.        Stability and Reactivity Data    

This material is stable if stored under proper conditions. (See Section VII for instructions)
    Stability
    Conditions of Instability
    Avoid excessive heat and light.
    Incompatibilities
    Reactive with oxidizing agents.

Section XI. Toxicological Information
    RTECS Number        DO5618000    
    Routes of Exposure        Eye Contact. Ingestion. Inhalation.    
    Rat LD50 (intravenous) 5 mg/kg
    Toxicity Data
    Mouse LD50 (subcutaneous) 860 mg/kg
    Rat LDLO (oral) 187 mg/kg
    CARCINOGENIC EFFECTS : Not available.
    Chronic Toxic Effects
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    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.    
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
    Continued on Next Page
    Etilefrine Hydrochloride

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

Section XIII. Disposal Considerations
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a
    Waste Disposal
    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).    
    Not applicable.
    PIN Number
    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.    


SECTION 16 - ADDITIONAL INFORMATION
N/A

盐酸依替福林; 4-羟基-alpha-((乙基氨基)甲基)-苄醇盐酸盐 海关数据

中国海关编码:2922509090

概述:
2922509090. 其他氨基醇酚、氨基酸酚及其他含氧基氨基化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB. 最惠国关税:6.5%. 普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
监管条件:
A.入境货物通关单B.出境货物通关单
检验检疫:
R.进口食品卫生监督检验S.出口食品卫生监督检验
摘要/Summary:
2922509090. other amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

盐酸依替福林; 4-羟基-alpha-((乙基氨基)甲基)-苄醇盐酸盐 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:52.08

2、   摩尔体积(m3/mol):160.7

3、   等张比容(90.2K):421.8

4、   表面张力(dyne/cm):47.3

5、   极化率10-24cm3):20.64

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:4

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:3

6.拓扑分子极性表面积52.5

7.重原子数量:14

8.表面电荷:0

9.复杂度:141

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:1

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

盐酸依替福林; 4-羟基-alpha-((乙基氨基)甲基)-苄醇盐酸盐 下游产品

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