(R)-(+)-1-(3-甲氧基苯基)乙胺

(R)-(+)-1-(3-甲氧基苯基)乙胺 基本信息
CAS号 88196-70-7 分子式 C9H13NO
分子量 151.20600 精确质量  151.10000
PSA  35.25000 LogP  2.41520

等价的CAS号:

50919-07-8,62409-13-6,82796-69-8,88196-70-7

基本信息 展开↓

CAS号:
88196-70-7
3D弹球模型:
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分子式:
C9H13NO
分子量:
151.20600
中文名称:
(R)-(+)-1-(3-甲氧基苯基)乙胺
英文名称:
(1R)-1-(3-methoxyphenyl)ethanamine
中文别名:
(R)-(+)-1-(3-甲氧基苯基)乙胺;
(R)-1-(3-甲氧基苯基)乙胺
英文别名:
(1R)-1-(3-methoxyphenyl)ethanamine;
(S)-(-)-1-(3-methoxylphenyl)ethylamine;
(S)-1-methyl-m-methoxy-benzyl amine;
1-(R)-(3-methoxyphenol)ethylamine;
(S)-1-(3'-methoxyphenyl)ethylamine;
R-3-methoxy-Alpha-methylbenzylamine;
(R)-1-(3-Methoxyphenyl)ethanamine;
(S)-m-methoxy-1-phenylethylamine;
(R)-1-(3-Methoxyphenyl)ethylamine;
(S)-1-(m-methoxyphenyl)ethylamine
精确分子量/精确质量:
151.10000
极性分子表面积/PSA:
35.25000
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:
MFCD00671655
EINECS:
000-000-0
BRN:
6683688
InChI:
InChI=1/C9H13NO/c1-7(10)8-4-3-5-9(6-8)11-2/h3-7H,10H2,1-2H3/t7-/m1/s1

物化性质展开↓

密度:
1.003 g/cm3
沸点:
234.6ºC at 760 mmHg
闪点:
94.7ºC
折射率:
1.5335
存储条件/存储方法:

密闭,阴凉,干燥处

稳定性相关:

按规定使用和贮存的不会分解,避氧化物

其它信息:

1.      性状:无色液体

2.      密度(g/mL20 ºC):1.023

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):未确定

5.      沸点(ºC,常压):未确定

6.      沸点(ºC0.38mmHg):66

7.      折射率:1.5335

8.      闪点(ºC0.38mmHg):66

9.      比旋光度(º):未确定

10.   自燃点或引燃温度(ºC):>100

11.   蒸气压(Pa,):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(正辛醇/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

安全信息展开↓

包装等级:
III
海关代码:
2922299090
危险类别码:
R21/22;R34
安全说明:
S26-S36/37/39-S45
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。
:

合成路线查看所有的合成路线

  • 187672-13-5

    187672-13-5

  • 50919-07-8

    50919-07-8

  • +

  • 88196-70-7

    (R)-(+)-1-(3-甲氧基苯基)乙胺

  • 185526-98-1

    185526-98-1

  • 50919-07-8

    50919-07-8

  • +

  • 88196-70-7

    (R)-(+)-1-(3-甲氧基苯基)乙胺

  • 50919-07-8

    50919-07-8

  • 50919-07-8

    50919-07-8

  • +

  • 88196-70-7

    (R)-(+)-1-(3-甲氧基苯基)乙胺

毒理性展开↓

生态数据:

对水是稍微危害的,若无政府许可,勿将材料排入周围环境

MSDS 展开↓


SECTION 1: Identification of the substance/mixture and of the company/undertaking
  Product identifiers
    : (R)-3-Methoxy-α-methylbenzylamine
    Product name
    REACH No.        : A registration number is not available for this substance as the substance    
    or its uses are exempted from registration, the annual tonnage does not
    require a registration or the registration is envisaged for a later
    registration deadline.
    CAS-No.        : 88196-70-7    
  

SECTION 2: Hazards identification
  Classification of the substance or mixture
  Classification according to Regulation (EC) No 1272/2008
    Acute toxicity, Inhalation (Category 3), H331
    Skin corrosion (Category 1B), H314
    For the full text of the H-Statements mentioned in this Section, see Section 16.
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    C Corrosive        R34    
    Xn Harmful        R20    
    For the full text of the R-phrases mentioned in this Section, see Section 16.
  Label elements
  Labelling according Regulation (EC) No 1272/2008
    Pictogram
    Signal word        Danger    
    Hazard statement(s)
    Causes severe skin burns and eye damage.
    Toxic if inhaled.
    Precautionary statement(s)
    Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
    Wear protective gloves/ protective clothing/ eye protection/ face
    protection.
    P305 + P351 + P338        IF IN EYES: Rinse cautiously with water for several minutes. Remove    
    contact lenses, if present and easy to do. Continue rinsing.
    Immediately call a POISON CENTER or doctor/ physician.
    Supplemental Hazard        none    
    Statements
  According to European Directive 67/548/EEC as amended.
    Hazard symbol(s)        C Corrosive    
    R-phrase(s)
    R20        Harmful by inhalation.    
    R34        Causes burns.    
    S-phrase(s)
    S26        In case of contact with eyes, rinse immediately with plenty of water and    
    seek medical advice.
    S36/37/39        Wear suitable protective clothing, gloves and eye/face protection.    
    S45        In case of accident or if you feel unwell, seek medical advice immediately    
    (show the label where possible).
  Other hazards - none

SECTION 3: Composition/information on ingredients
  Mixtures
    Synonyms        : (R)-1-(3-Methoxyphenyl)ethylamine    
    Formula        : C9H13NO    
    Molecular Weight        : 151,21 g/mol    
  Hazardous ingredients according to Regulation (EC) No 1272/2008
    Component        Classification        Concentration    
  (R)-1-(3-Methoxyphenyl) ethylamine
    CAS-No.        88196-70-7        Acute Tox. 3; Skin Corr. 1B; <= 100 %    
    H314, H331
  (S)-(-)-3-Methoxy-α-methylbenzylamine
    CAS-No.        82796-69-8        Acute Tox. 4; Acute Tox. 3; < 5 %    
    Skin Corr. 1B; Aquatic Chronic
    3; H302, H314, H331, H412
  Hazardous ingredients according to Directive 1999/45/EC
    Component        Classification        Concentration    
  (R)-1-(3-Methoxyphenyl) ethylamine
    CAS-No.        88196-70-7        C, R20 - R34        <= 100 %    
  (S)-(-)-3-Methoxy-α-methylbenzylamine
    CAS-No.        82796-69-8        C, Xn, R20 - R22 - R34        <5%    
    For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

SECTION 4: First aid measures
  Description of first aid measures
  General advice
    Consult a physician. Show this safety data sheet to the doctor in attendance.
  If inhaled
    If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
  In case of skin contact
    Take off contaminated clothing and shoes immediately. Wash off with soap and plenty of water. Take
    victim immediately to hospital. Consult a physician.
  In case of eye contact
    Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
  If swallowed
    Do NOT induce vomiting. Never give anything by mouth to an unconscious person. Rinse mouth with
    water. Consult a physician.
  Most important symptoms and effects, both acute and delayed
    The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
    section 11
  Indication of any immediate medical attention and special treatment needed
    no data available

SECTION 5: Firefighting measures
  Extinguishing media
  Suitable extinguishing media
    Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
  Special hazards arising from the substance or mixture
    Carbon oxides, nitrogen oxides (NOx), Metal oxides
  Advice for firefighters
    Wear self contained breathing apparatus for fire fighting if necessary.
  Further information
    no data available

SECTION 6: Accidental release measures
  Personal precautions, protective equipment and emergency procedures
    Wear respiratory protection. Avoid breathing vapours, mist or gas. Ensure adequate ventilation.
    Evacuate personnel to safe areas.
    For personal protection see section 8.
  Environmental precautions
    Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the
    environment must be avoided.
  Methods and materials for containment and cleaning up
    Soak up with inert absorbent material and dispose of as hazardous waste. Keep in suitable, closed
    containers for disposal.
  Reference to other sections
    For disposal see section 13.

SECTION 7: Handling and storage
  Precautions for safe handling
    Avoid contact with skin and eyes. Avoid inhalation of vapour or mist.
    Normal measures for preventive fire protection.
    For precautions see section 2.2.
  Conditions for safe storage, including any incompatibilities
    Keep container tightly closed in a dry and well-ventilated place. Containers which are opened must be
    carefully resealed and kept upright to prevent leakage. Store in cool place.
  Specific end use(s)
    A part from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
  Control parameters
  Components with workplace control parameters
  Exposure controls
  Appropriate engineering controls
    Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling
    the product.
  Personal protective equipment
  Eye/face protection
    Tightly fitting safety goggles. Faceshield (8-inch minimum). Use equipment for eye protection
    tested and approved under appropriate government standards such as NIOSH (US) or EN
    166(EU).
  Skin protection
    Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
    (without touching glove's outer surface) to avoid skin contact with this product. Dispose of
    contaminated gloves after use in accordance with applicable laws and good laboratory practices.
    Wash and dry hands.
    The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
    the standard EN 374 derived from it.
  Body Protection
    Complete suit protecting against chemicals, The type of protective equipment must be selected
    according to the concentration and amount of the dangerous substance at the specific workplace.
  Respiratory protection
    Where risk assessment shows air-purifying respirators are appropriate use a full-face respirator
    with multi-purpose combination (US) or type ABEK (EN 14387) respirator cartridges as a backup
    to engineering controls. If the respirator is the sole means of protection, use a full-face supplied air
    respirator. Use respirators and components tested and approved under appropriate government
    standards such as NIOSH (US) or CEN (EU).
  Control of environmental exposure
    Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into
    the environment must be avoided.

SECTION 9: Physical and chemical properties
  Information on basic physical and chemical properties
    a) Appearance        Form: liquid    
    Colour: colourless, light yellow
    b) Odour        amine-like    
    c) Odour Threshold        no data available    
    d) pH        10,9 at 10 g/l at 20 °C    
    e) Melting point/freezing        66 °C at 0,5 hPa    
    point
    f) Initial boiling point and no data available
    boiling range
    g) Flash point        no data available    
    h) Evapouration rate        no data available    
    i) Flammability (solid, gas) no data available
    j) Upper/lower        no data available    
    flammability or
    explosive limits
    k) Vapour pressure        no data available    
    l) Vapour density        no data available    
    m) Relative density        no data available    
    n) Water solubility        10 g/l at 20 °C    
    o) Partition coefficient: n- no data available
    octanol/water
    p) Auto-ignition        no data available    
    temperature
    q) Decomposition        no data available    
    temperature
    r) Viscosity        no data available    
    s) Explosive properties        no data available    
    t) Oxidizing properties        no data available    
  Other safety information
    no data available

SECTION 10: Stability and reactivity
  Reactivity
    no data available
  Chemical stability
    Stable under recommended storage conditions.
  Possibility of hazardous reactions
    no data available
  Conditions to avoid
    no data available
  Incompatible materials
    no data available
  Hazardous decomposition products
    Other decomposition products - no data available
    In the event of fire: see section 5

SECTION 11: Toxicological information
  Information on toxicological effects
  Acute toxicity
    no data available
  Skin corrosion/irritation
    no data available
  Serious eye damage/eye irritation
    no data available
  Respiratory or skin sensitisation
    no data available
  Germ cell mutagenicity
    no data available
  Carcinogenicity
    IARC:        No component of this product present at levels greater than or equal to 0.1% is identified as    
    probable, possible or confirmed human carcinogen by IARC.
  Reproductive toxicity
    no data available
  Specific target organ toxicity - single exposure
    no data available
  Specific target organ toxicity - repeated exposure
    no data available
  Aspiration hazard
    no data available
  Additional Information
    RTECS: Not available
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.

SECTION 12: Ecological information
  Toxicity
    no data available
  Persistence and degradability
    no data available
  Bioaccumulative potential
    no data available
  Mobility in soil
    no data available
  Results of PBT and vPvB assessment
    PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
  Other adverse effects
    Harmful to aquatic life.

SECTION 13: Disposal considerations
  Waste treatment methods
  Product
    Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
    professional waste disposal service to dispose of this material.
  Contaminated packaging
    Dispose of as unused product.

SECTION 14: Transport information
  UN number
    ADR/RID: 2735        IMDG: 2735        IATA: 2735    
  UN proper shipping name
    ADR/RID: AMINES, LIQUID, CORROSIVE, N.O.S. ((R)-1-(3-Methoxyphenyl) ethylamine)
    IMDG: AMINES, LIQUID, CORROSIVE, N.O.S. ((R)-1-(3-Methoxyphenyl) ethylamine)
    IATA:        Amines, liquid, corrosive, n.o.s. ((R)-1-(3-Methoxyphenyl) ethylamine)    
  Transport hazard class(es)
    ADR/RID: 8        IMDG: 8        IATA: 8    
  Packaging group
    ADR/RID: II        IMDG: II        IATA: II    
  Environmental hazards
    ADR/RID: no        IMDG Marine pollutant: no        IATA: no    
  Special precautions for user
    no data available

SECTION 15: Regulatory information
    This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
  Safety, health and environmental regulations/legislation specific for the substance or mixture
    no data available
  Chemical Safety Assessment


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2922299090

概述:
2922299090. 其他氨基(萘酚、酚)及醚、酯〔包括它们的盐, 但含有一种以上含氧基的除外〕. 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: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
摘要/Summary:
2922299090. other amino-naphthols and other amino-phenols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. 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:46.01

2、   摩尔体积(m3/mol):150.6

3、   等张比容(90.2K)368.2

4、   表面张力(dyne/cm)35.6

5、   极化率(10-24cm3)18.24

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:1

3.氢键受体数量:2

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积35.2

7.重原子数量:11

8.表面电荷:0

9.复杂度:116

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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