去甲肾上腺素

去甲肾上腺素 基本信息
CAS号 51-41-2 分子式 C8H11NO3
分子量 169.17800 精确质量  169.07400
PSA  86.71000 LogP  0.79020

等价的CAS号:

51-41-2,138-65-8,149-95-1,586-17-4

基本信息 展开↓

CAS号:
51-41-2
3D弹球模型:
立即前往扯扯看
分子式:
C8H11NO3
分子量:
169.17800
中文名称:
去甲肾上腺素
英文名称:
(R)-noradrenaline
中文别名:
去甲肾上腺素;
(R)-4-(2-氨基-1-羟基乙基)-1,2-苯二酚
英文别名:
(R)-noradrenaline;
(−)-Norepinephrine;
Norepinephrine;
L-Noradrenaline
精确分子量/精确质量:
169.07400
极性分子表面积/PSA:
86.71000
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:
MFCD00025592
EINECS:
200-096-6
PubChem:
24891196
BRN:
2804840
InChI:
InChI=1/C8H11NO3/c9-8(12)4-5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2

生产制备方法及用途展开↓

制备方法


可由邻苯二酚与氯乙酰氯制成3,4-二羟基-2-氯代苯乙酮后再与氨或乌洛托品作用而制得。

合成制备方法


可由邻苯二酚与氯乙酰氯制成3,4-二羟基-2-氯代苯乙酮后再与氨或乌洛托品作用而制得。

用途简介


抗休克的血管活性药。主要用于抢救急性低血压和周围血管扩张所引起的休克等。

用途


抗休克的血管活性药。主要用于抢救急性低血压和周围血管扩张所引起的休克等。

物化性质展开↓

外观与性状:
结晶
密度:
1.397 g/cm3
熔点:
220-230°C
沸点:
442.6ºC at 760 mmHg
闪点:
221.5ºC
折射率:
1.66
存储条件/存储方法:

充氩气密封于4℃避光保存。

其它信息:

1.       性状:  类白色至褐色细微结晶。对光和空气敏感。

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):  216.5~218℃(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):[α]D25 -37.3°(C=5,1mol/L盐酸中)

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:溶于无机酸和碱,微溶于水、甲醇、乙醇和乙醚。

安全信息展开↓

包装等级:
II
风险类别:
6.1
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:
R26/27/28
安全说明:
S28-S36/37-S45
RTECS号:
DN5950000
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+:Verytoxic;

合成路线查看所有的合成路线

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    R,S-2,2'-dinitrobiphenyl-6,6'-dicarbonsaeure-di-N,N'-1-(3,4-dihydroxyphenyl)-1-hydroxy-2-amido-ethan

  • ~50%

  • 51-41-2

    去甲肾上腺素

  • 104819-55-8

    104819-55-8

  • 51-41-2

    去甲肾上腺素

  • 5090-29-9

    2-氨基-3',4'-二羟基苯乙酮盐酸盐

  • 51-41-2

    去甲肾上腺素

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DN5950000
CHEMICAL NAME :
Benzyl alcohol, alpha-(aminomethyl)-3,4-dihydroxy-, (-)-
CAS REGISTRY NUMBER :
51-41-2
LAST UPDATED :
199612
DATA ITEMS CITED :
18
MOLECULAR FORMULA :
C8-H11-N-O3
MOLECULAR WEIGHT :
169.20
WISWESSER LINE NOTATION :
Z1YQR CQ DQ -L

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 :
100 ug/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness Lungs, Thorax, or Respiration - dyspnea
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
20 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 :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
6 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 - mouse
DOSE/DURATION :
5 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 :
550 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
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
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
DOSE :
8 mg/kg
SEX/DURATION :
female 7-14 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - behavioral
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
60 ug/kg
SEX/DURATION :
female 8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Maternal Effects - uterus, cervix, vagina
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
16 mg/kg
SEX/DURATION :
female 7-10 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - other measures of fertility
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intravenous
DOSE :
10 ug/kg
SEX/DURATION :
female 63 day(s) after conception
TOXIC EFFECTS :
Reproductive - Maternal Effects - other effects Vascular - measurement of regional blood flow Reproductive - Effects on Embryo or Fetus - extra-embryonic structures (e.g., placenta, umbilical cord)
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
2 mg/kg
SEX/DURATION :
female 7-10 day(s) after conception
TOXIC EFFECTS :
Reproductive - Specific Developmental Abnormalities - hepatobiliary system
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
2 mg/kg
SEX/DURATION :
female 7-10 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
TYPE OF TEST :
Cytogenetic analysis

MUTATION DATA

TYPE OF TEST :
DNA inhibition
TEST SYSTEM :
Rodent - mouse Cells - not otherwise specified
DOSE/DURATION :
5800 nmol/L
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 40,1414,1980 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - A1103 No. of Facilities: 43 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 85 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - A1103 No. of Facilities: 68 (estimated) No. of Industries: 2 No. of Occupations: 3 No. of Employees: 613 (estimated) No. of Female Employees: 175 (estimated)

MSDS 展开↓


Section 1. Chemical Product and Company Identification
    L-Norepinephrine
    Common Name/
    Trade Name
    L-Norepinephrine

Section 3. Hazards Identification
    Potential Acute Health Effects Very hazardous in case of ingestion. Slightly hazardous in case of skin contact (irritant), of eye contact (irritant),
    of inhalation. Severe over-exposure can result in death.
    Potential Chronic Health Effects        CARCINOGENIC EFFECTS: Not available.    
    MUTAGENIC EFFECTS: Mutagenic for bacteria and/or yeast.
    TERATOGENIC EFFECTS: Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    The substance is toxic to cardiovascular system.
    The substance may be toxic to muscle tissue.
    Repeated or prolonged exposure to the substance can produce target organs damage. Repeated exposure to a
    highly toxic material may produce general deterioration of health by an accumulation in one or many human
    organs.

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. 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.    
    Not available.
    Serious Skin Contact
    If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
    Inhalation
    Get medical attention.
    Serious Inhalation        Evacuate the victim to a safe area as soon as possible. Loosen tight clothing such as a collar, tie, belt or    
    waistband. If breathing is difficult, administer oxygen. If the victim is not breathing, perform mouth-to-mouth
    resuscitation. Seek medical attention.
    Ingestion        If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by    
    mouth to an unconscious person. Loosen tight clothing such as a collar, tie, belt or waistband. Get medical
    attention immediately.
    Serious Ingestion        Not available.    

Section 5. Fire and Explosion Data
    Flammability of the Product        May be combustible at high temperature.    
    Not available.
    Auto-Ignition Temperature
    Not available.
    Flash Points
    Not available.
    Flammable Limits
    These products are carbon oxides (CO, CO2), nitrogen oxides (NO, NO2...).
    Products of Combustion
    Slightly flammable to flammable in presence of heat.
    Fire Hazards in Presence of
    Various Substances
    Explosion Hazards in Presence of Risks of explosion of the product in presence of mechanical impact: Not available.
    Various Substances        Risks of explosion of the product in presence of static discharge: Not available.    
    SMALL FIRE: Use DRY chemical powder.
    Fire Fighting Media
    LARGE FIRE: Use water spray, fog or foam. Do not use water jet.
    and Instructions
    As with most organic solids, fire is possible at elevated temperatures
    Special Remarks on
    Fire Hazards
    Fine dust dispersed in air in sufficient concentrations, and in the presence of an ignition source is a potential dust
    Special Remarks on Explosion
    explosion hazard.
    Hazards
    L-Norepinephrine

Section 6. Accidental Release Measures
    Use appropriate tools to put the spilled solid in a convenient waste disposal container.
    Small Spill
    Poisonous solid.
    Large Spill
    Stop leak if without risk. Do not get water inside container. Do not touch spilled material. Use water spray to
    reduce vapors. Prevent entry into sewers, basements or confined areas; dike if needed. Eliminate all ignition

Section 7. Handling and Storage
    Keep away from heat. Keep away from sources of ignition. Ground all equipment containing material. Do not
    Precautions
    ingest. Do not breathe dust. Wear suitable protective clothing. If ingested, seek medical advice immediately and
    show the container or the label. Keep away from incompatibles such as oxidizing agents, acids, alkalis.
    Keep container tightly closed. Keep container in a cool, well-ventilated area. Do not store above -20°C (-4°F).
    Storage
    Freeze.

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 a Splash goggles. Full suit. Dust respirator. Boots. Gloves. A self contained breathing apparatus should be used
    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. (Crystalline solid. Crystalline powder.)        Not available.    
    Odor
    Taste        Not available.    
    Molecular Weight        169.18 g/mole    
    Off-white.
    Color
    Not available.
    pH (1% soln/water)
    Not available.
    Boiling Point
    Melting Point        220°C (428°F)    
    Critical Temperature        Not available.    
    Not available.
    Specific Gravity
    Not applicable.
    Vapor Pressure
    Vapor Density        Not available.    
    Not available.
    Volatility
    Not available.
    Odor Threshold
    Water/Oil Dist. Coeff.        Not available.    
    Ionicity (in Water)        Not available.    
    Not available.
    Dispersion Properties
    Not available.
    Solubility
    L-Norepinephrine

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

Section 11. Toxicological Information
    Routes of Entry        Inhalation. Ingestion.    
    Toxicity to Animals        Acute oral toxicity (LD50): 20 mg/kg [Mouse].    
    Chronic Effects on Humans        MUTAGENIC EFFECTS: Mutagenic for bacteria and/or yeast.    
    Causes damage to the following organs: cardiovascular system.
    May cause damage to the following organs: muscle tissue.
    Other Toxic Effects on Humans Very hazardous in case of ingestion.
    Slightly hazardous in case of skin contact (irritant), of inhalation.
    Special Remarks on        Not available.    
    Toxicity to Animals
    Human: passes the placental barrier.
    Special Remarks on
    May cause adverse reproductive effects and birth defects (teratogenic).
    Chronic Effects on Humans
    May affect genetic material (mutagenic)
    Acute Potential Health Effects:
    Special Remarks on other Toxic
    Skin: May cause skin irritation.
    Effects on Humans
    Eyes: May cause eye irritation.
    Inhalation: Dust may cause respiratory tract irritation.
    Ingestion: May be fatal if swallowed. May cause nausea, vomiting, and hypersalivation. Affects the
    cardiovascular system/heat (hypertension, dradycardia, arrhythmias, anginal pain, palpitations, cardiac arrest,
    sudden death. May affect metabolism (altered glucose metabolism). May affect the blood (aggregated pltelets
    and occlusive platelet thrombi), behavior/central nervous system (fear, anxiety, restlessness, tremor, insomnia,
    somnolence, muscle weakness, confusion, irritability, weakness, psychosis), kidneys (nephrotoxicity), respiration
    (dyspnea).

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

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        CLASS 6.1: Poisonous material.    
    UNNA: 2811 : Toxic solid, organic, n.o.s(L-Norepinephrine) PG: II
    Identification
    Not available.
    Special Provisions for
    Transport
    DOT (Pictograms)

Section 15. Other Regulatory Information and Pictograms
    Federal and State        No products were found.    
    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.
    OSHA: Hazardous by definition of Hazard Communication Standard (29 CFR 1910.1200).
    Other Regulations
    EINECS: This product is on the European Inventory of Existing Commercial Chemical Substances.
    CLASS D-1A: Material causing immediate and serious toxic effects (VERY TOXIC).
    Other Classifications        WHMIS (Canada)    
    DSCL (EEC)        R28- Very toxic if swallowed.        S28- After contact with skin, wash immediately    
    with plenty of water
    S36/37- Wear suitable protective clothing and
    gloves.
    S45- In case of accident or if you feel unwell,
    seek medical advice immediately (show the
    label where possible).
    Health Hazard
    HMIS (U.S.A.)        3 National Fire Protection    
    1 Flammability
    1 Association (U.S.A.)
    Fire Hazard
    3 0 Reactivity
    Health
    Reactivity
    0
    Specific hazard
    Personal Protection
    E
    WHMIS (Canada)
    (Pictograms)
    DSCL (Europe)
    (Pictograms)
    L-Norepinephrine
    TDG (Canada)
    (Pictograms)
    ADR (Europe)
    (Pictograms)
    Protective Equipment
    Gloves.
    Lab coat.
    Dust respirator. Be sure to use an
    approved/certified respirator or equivalent.
    Wear appropriate respirator when
    ventilation is inadequate.


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:44.63

2、  摩尔体积(cm3/mol):121.0

3、  等张比容(90.2K):358.3

4、  表面张力(dyne/cm):76.7

5、  极化率(10-24cm3):17.69

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:4

4.可旋转化学键数量:2

5.互变异构体数量:10

6.拓扑分子极性表面积86.7

7.重原子数量:12

8.表面电荷:0

9.复杂度:142

10.同位素原子数量:0

11.确定原子立构中心数量:1

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

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    DL-去甲肾上腺素

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