消旋肾上腺素

消旋肾上腺素 基本信息
CAS号 329-65-7 分子式 C9H13NO3
分子量 183.20400 精确质量  183.09000
PSA  72.72000 LogP  0.74150

等价的CAS号:

51-43-4,150-05-0,329-65-7,6912-68-1

基本信息 展开↓

CAS号:
329-65-7
3D弹球模型:
立即前往扯扯看
分子式:
C9H13NO3
分子量:
183.20400
中文名称:
消旋肾上腺素
英文名称:
adrenaline
中文别名:
消旋肾上腺素;
3,4-二羟基-Α-(甲基氨基)苯甲醇;
(±)肾上腺素;
DL-肾上腺素;
1-(3,4-二羟基苯基)-2-(甲基氨基)乙醇
英文别名:
adrenaline;
DL-Adrenalin;
rac Epinephrine;
4-(1-Hydroxy-2-(methylamino)ethyl)benzene-1,2-diol
精确分子量/精确质量:
183.09000
极性分子表面积/PSA:
72.72000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00063027
EINECS:
206-347-6
PubChem:
24894424
InChI:
InChI=1/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3

生产制备方法及用途展开↓

制备方法


生化研究。

用途简介


用途


生化研究。

物化性质展开↓

外观与性状:
无气味的淡棕色或几乎白色晶体
密度:
1.283 g/cm3
熔点:
197 °C (dec.)(lit.)
沸点:
413.1ºC at 760 mmHg
闪点:
207.9ºC
水溶解性:
Sparingly soluble
存储条件/存储方法:

密封避光保存。

其它信息:

 

1.       性状:白色结晶。

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):230(分解)

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:

17.    爆炸上限(%,V/V):未确定

18.    爆炸下限(%,V/V):未确定

19.    溶解性:溶于乙酸矿酸和碱液,微溶于水和乙醇。

安全信息展开↓

包装等级:
III
风险类别:
6.1(b)
海关代码:
2922509090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R24;R36/37/38
安全说明:
S26-S36/37-S45
RTECS号:
DO2975000
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。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:
危险标志:
T:Toxic;

合成路线查看所有的合成路线

  • 104819-58-1

    104819-58-1

  • ~55%

  • 329-65-7

    消旋肾上腺素

  • 67-04-9

    酒石酸辛弗林

  • 329-65-7

    消旋肾上腺素

  • 115780-42-2

    115780-42-2

  • 329-65-7

    消旋肾上腺素

  • +

  • 672-73-1

    2-(3,4-dihydroxyphenyl)-N-formyl-2-hydroxyacetamide

化学图谱

  1. DL-肾上腺素质谱(MS)

  2. DL-肾上腺素核磁图(13CNMR)

  3. DL-肾上腺素核磁图(1HNMR)

  4. DL-肾上腺素红外图谱(IR1)

  5. DL-肾上腺素红外图谱(IR2)

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毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DO2975000
CHEMICAL NAME :
Benzyl alcohol, 3,4-dihydroxy-alpha-((methylamino)methyl)-, (+-)-
CAS REGISTRY NUMBER :
329-65-7
BEILSTEIN REFERENCE NO. :
2212160
LAST UPDATED :
199709
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C9-H13-N-O3
MOLECULAR WEIGHT :
183.23
WISWESSER LINE NOTATION :
QR BQ DYQ1M1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
70 ug/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 95,502,1949
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
7800 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PSEBAA Proceedings of the Society for Experimental Biology and Medicine. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1903/04- Volume(issue)/page/year: 68,501,1948
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
12 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85IXA4 "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948 Volume(issue)/page/year: -,57,1948
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3400 ug/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - acute pulmonary edema Lungs, Thorax, or Respiration - other changes Kidney, Ureter, Bladder - inflammation, necrosis, or scarring of bladder
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 95,502,1949
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
250 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
85IXA4 "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948 Volume(issue)/page/year: -,57,1948 *** REVIEWS *** TOXICOLOGY REVIEW CHREAY Chemical Reviews. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1924- Volume(issue)/page/year: 9,389,1931 TOXICOLOGY REVIEW ADVPA3 Advances in Pharmacology. (New York, NY) V.1-6, 1962-68. For publisher information, see AVPCAQ. Volume(issue)/page/year: 4,263,1966 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X4149 No. of Facilities: 399 (estimated) No. of Industries: 1 No. of Occupations: 5 No. of Employees: 8846 (estimated) No. of Female Employees: 6257 (estimated)
毒理学数据:

二、毒理学数据:

急性毒性:不可用 。

生态数据:

三、生态学数据:

1、其它有害作用:该物质对环境可能有危害,对水体应给予特别注意。

MSDS 展开↓


Section I.Chemical Product and Company Identification
    Chemical Name DL-Adrenaline
    Portland OR
    Synonym        DL-Epinephrine    
    Chemical Formula        C9H13NO3    
    CAS Number        329-65-7    

Section II.        Composition and Information on Ingredients    
    Toxicology Data
    Chemical Name        CAS Number Percent (%)        TLV/PEL    
    DL-Adrenaline        329-65-7        Min. 98.0 (T) Not available.        Rat LD50 (intravenous) 0.07 mg/kg    
    Mouse LD50 (intraperitoneal) 7.8
    mg/kg
    Mouse LD50 (intravenous) 3.4
    mg/kg

Section III. Hazards Identification
    Acute Health Effects        Toxic if ingested or inhaled. Avoid prolonged contact with this material. Overexposure may result in serious illness 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.
    Repeated exposure to an highly toxic material may produce general deterioration of health by an accumulation in one or
    many human organs.

Section IV.        First Aid Measures    
    Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15
    Eye Contact
    minutes. Get medical attention.
    In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing
    Skin Contact
    and shoes. Wash clothing before reuse. Thoroughly clean shoes before reuse. Get medical attention immediately.
    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.
    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, 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    
    Not available.
    May be combustible at high temperature.        Auto-Ignition    
    Flammability
    Flash Points        Flammable Limits        Not available.    
    Not available.
    Combustion Products        These products are toxic carbon oxides (CO, CO2), nitrogen oxides (NO, NO2).    
    Fire Hazards
    Not available.
    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.
    Fire Fighting Media
    and Instructions
    Continued on Next Page
    DL-Adrenaline
    SMALL FIRE: Use DRY chemical powder.
    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.

Section VI.        Accidental Release Measures    
    Spill Cleanup        Toxic material. Teratogenic material. Irritating material. Light sensitive material. Heat sensitive material.    
    Stop leak if without risk. DO NOT get water inside container. DO NOT touch spilled material. Use water spray to reduce
    Instructions
    vapors. Prevent entry into sewers, basements or confined areas; dike if needed. Eliminate all sources of ignition. Consult
    federal, state, and/or local authorities for assistance on disposal.

Section VII. Handling and Storage
    TOXIC. TERATOGEN. IRRITANT. LIGHT SENSITIVE. HEAT SENSITIVE. REFRIGERATE. Keep locked up. Keep away
    Handling and Storage
    from heat. Mechanical exhaust required. When not in use, tightly seal the container and store in a dry, cool place. Avoid
    Information
    excessive heat and light. DO NOT ingest. Do not breathe dust. Wear suitable protective clothing. If ingested, seek medical
    advice immediately and show the container or the label. Treat symptomatically and supportively.
    Always store away from incompatible compounds such as oxidizing agents, acids.

Section VIII. Exposure Controls/Personal Protection
    Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below recommended
    Engineering Controls
    exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to airborne contaminants
    below the exposure limit.
    Splash goggles. Lab coat. Dust respirator. Boots. Gloves. A MSHA/NIOSH approved respirator must be used to avoid
    Personal Protection
    inhalation of the product. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling this
    product.
    Exposure Limits        Not available.    

Section IX. Physical and Chemical Properties
    Solid. (Crystal, powder. Pale yellow -        Solubility    
    Physical state @ 20°C        Not available.    
    greyish yellow red.)
    Not available.
    Specific Gravity
    Molecular Weight        183.20        Partition Coefficient        Not available.    
    Boiling Point        Not available.        Not applicable.    
    Vapor Pressure
    Melting Point        197°C (386.6°F)        Vapor Density        Not available.    
    Not available.        Not available.    
    Refractive Index        Volatility    
    Critical Temperature        Not available.        Odor        Not available.    
    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, acids, acid chlorides, acid anhydrides.    

Section XI. Toxicological Information
    RTECS Number        DO2975000    
    Eye Contact. Ingestion. Inhalation.
    Routes of Exposure
    Rat LD50 (intravenous) 0.07 mg/kg
    Toxicity Data
    Mouse LD50 (intraperitoneal) 7.8 mg/kg
    Mouse LD50 (intravenous) 3.4 mg/kg
    CARCINOGENIC EFFECTS : Not available.
    Chronic Toxic Effects
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated exposure to an highly toxic material may produce general deterioration of health by an accumulation in one or many
    human organs.
    Toxic if ingested or inhaled. Avoid prolonged contact with this material. Overexposure may result in serious illness or death.
    Acute Toxic Effects
    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-Adrenaline

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        DOT CLASS 6.1: Toxic material.    
    PIN Number
    Proper Shipping Name        Toxic solid, organic, n.o.s.    
    II
    Packing Group (PG)
    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        CLASS D-1B: Material causing immediate and serious toxic effects (TOXIC).    
    On DSL.
    (Canada)
    EINECS Number (EEC) 206-347-6
    EEC Risk Statements        R23/24/25- Toxic 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

海关数据查看详细

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%

分子结构与计算化学数据展开↓

分子结构数据


1、   摩尔折射率:49.33

2、   摩尔体积(m3/mol):142.6

3、   等张比容(90.2K):397.0

4、   表面张力(dyne/cm):59.9

5、   极化率10-24cm3):19.55

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下游产品

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