62935-72-2 (7-甲氧基香豆素-4-乙酸,MCA)

CAS号:
62935-72-2
中文名称:
7-甲氧基香豆素-4-乙酸
英文名称:
MCA
分子式:
C12H10O5
分子量:
234.204803943634
简介:
MCA 是香豆素的衍生物。MCA 采用高效液相色谱荧光检测法定量血小板活化因子。MCA 可以修饰 FRET 多肽底物,用来分析蛋白酶活性。

7-甲氧基香豆素-4-乙酸(62935-72-2)名称与标识符

名称

中文别名:
7-甲氧基香豆素-4-乙酸;7-甲氧基-2-氧代-2H-1-苯并吡喃-4-乙酸;
英文别名:
2-(7-Methoxy-2-oxo-2H-chromen-4-yl)acetic acid;7-Methoxy-2-oxo-2H-1-benzopyran-4-acetic acid;7-Methoxycoumarin-4-acetic acid;(7-Methoxy-2-oxo-2H-chromen-4-yl)acetic acid;(7-Methoxycoumarin-4-yl)acetic acid;2-(7-methoxy-2-oxochromen-4-yl)acetic acid;7-Methoxycoumarin-4-;7-methoxycoumarin-4-ylacetic acid;Mca;2H-1-Benzopyran-4-acetic acid, 7-methoxy-2-oxo-;Mca-OH;(7-Methoxy-2-oxo-2H-chromen-4-yl)-acetic acid;NSC378137;PubChem8695;7-MeO-Coumarin-AcOH;Oprea1_350851;Oprea1_229870;MLS0;Z276516410;GS-3805;CHEMBL268282;HMS2745H10;InChI=1/C12H10O5/c1-16-8-2-3-9-7(4-11(13)14)5-12(15)17-10(9)6-8/h2-3,5-6H,4H2,1H3,(H,13,14;EN300-51455;CS-0071568;MLS000676412;F30043;MFCD00009774;7-Methoxycoumarin-4-aceticacid;YSSJ00799;SR-01000234450-1;SR-01000234450;62935-72-2;7-Methoxycalmarin-4-acetic acid;7-Methoxycoumarin-4-acetic acid, 97%;CHEBI:51666;AC-9053;7-Methoxy-2-oxo-2H-chromen-4-acetic Acid;A834101;DTXSID70321577;NCI60_003557;FT-0621449;Q27104784;NSC 378137;BDBM50022173;SMR000298433;NSC-378137;AKOS002663360;HY-W027544;AM9990;ZEKAXIFHLIITGV-UHFFFAOYSA-N;F1083-0011;SCHEMBL246218;SY110098;7-Methoxy-2-oxo-2H-1-benzopyran-4-acetic Acid; MCA; NSC 378137;;2-(7-methoxy-2-oxo-chromen-4-yl)acetic acid;DB-054337;ALBB-015406;(7-methoxy-2-oxochromen-4-yl)acetic acid;STL457132;

标识符

MDL:
MFCD00009774
InChIKey:
ZEKAXIFHLIITGV-UHFFFAOYSA-N
Inchi:
1S/C12H10O5/c1-16-8-2-3-9-7(4-11(13)14)5-12(15)17-10(9)6-8/h2-3,5-6H,4H2,1H3,(H,13,14)
SMILES:
O1C(C=C(CC(=O)O)C2C=CC(=CC1=2)OC)=O

7-甲氧基香豆素-4-乙酸(62935-72-2)物化性质

实验特性

  • LogP : 1.42870
  • PSA : 76.74000
  • 沸点 : 472.9±45.0 °C at 760 mmHg
  • 熔点 : 193 °C (dec.) (lit.)
  • 闪点 : 华氏:188.6 °F
    摄氏:87 °C
  • 溶解度 : Soluble in acetone and dimethyl sulfoxide.
  • 颜色与性状 : 固体。
  • 稳定性 : Moisture, Temperature, Light Sensitive
  • 溶解性 : 未确定。
  • 密度 : 1.4±0.1 g/cm3

计算特性

  • 精确分子量 : 234.05300
  • 氢键供体数量 : 1
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 3
  • 同位素质量 : 234.05282342g/mol
  • 重原子数量 : 17
  • 复杂度 : 360
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 1.3
  • 互变异构体数量 : 无
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 72.8

7-甲氧基香豆素-4-乙酸(62935-72-2)海关数据

海关编码:
2932209090
海关数据:

中国海关编码:

2932209090

概述:

2932209090. 其他内酯. 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

Summary:

2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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7-甲氧基香豆素-4-乙酸(62935-72-2)相关文献

7-甲氧基香豆素-4-乙酸(62935-72-2) MSDS

基础信息


Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
  Product identifiers
    Product name        : 7-Methoxycoumarin-4-acetic acid    
    CAS-No.        : 62935-72-2    
  Relevant identified uses of the substance or mixture and uses advised against
    Identified uses        : Laboratory chemicals, Manufacture of substances    
  
  

Section 2. HAZARDS IDENTIFICATION
  Classification of the substance or mixture
    Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
    This substance is not classified as dangerous according to Directive 67/548/EEC.
  Label elements
    This substance is not classified as dangerous according to Directive 67/548/EEC.
  Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substances
    Synonyms        : 7-Methoxy-2-oxo-2H-1-benzopyran-4-acetic acid    
    Formula        : C12H10O5    
    Molecular Weight        : 234,2 g/mol    

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
    Wash off with soap and plenty of water. Consult a physician.
  In case of eye contact
    Flush eyes with water as a precaution.
  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
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.
  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
  Advice for firefighters
    Wear self contained breathing apparatus for fire fighting if necessary.
  Further information
    Use water spray to cool unopened containers.

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions, protective equipment and emergency procedures
    Avoid breathing vapors, mist or gas. Remove all sources of ignition. Beware of vapours accumulating to
    form explosive concentrations. Vapours can accumulate in low areas.
  Environmental precautions
    Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
  Methods and materials for containment and cleaning up
    Contain spillage, and then collect with an electrically protected vacuum cleaner or by wet-brushing and
    place in container for disposal according to local regulations (see section 13). 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 inhalation of vapour or mist.
    Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic
    charge.
  Conditions for safe storage, including any incompatibilities
    Store in cool place. 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.
    Light sensitive.
  Specific end use(s)
    no data available

Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
  Control parameters
  Components with workplace control parameters
  Exposure controls
  Appropriate engineering controls
    Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
    at the end of workday.
  Personal protective equipment
  Eye/face protection
    Safety glasses with side-shields conforming to EN166 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
    impervious clothing, 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).

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Information on basic physical and chemical properties
    a) Appearance        Form: powder    
    Colour: white
    b) Odour        no data available    
    c) Odour Threshold        no data available    
    d) pH        no data available    
    e) Melting point/freezing        Melting point/range: 193 °C - dec.    
    point
    f) Initial boiling point and 189 °C at 1.013 hPa
    boiling range
    g) Flash point        87 °C - closed cup    
    h) Evaporation rate        no data available    
    i) Flammability (solid, gas) no data available
    j) Upper/lower        Upper explosion limit: 42 %(V)    
    flammability or        Lower explosion limit: 3,5 %(V)    
    explosive limits
    k) Vapour pressure        no data available    
    l) Vapour density        no data available    
    m) Relative density        no data available    
    n) Water solubility        no data available    
    o) Partition coefficient: n- log Pow: -2,03
    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
    no data available
  Possibility of hazardous reactions
    no data available
  Conditions to avoid
    Exposure to moisture may affect product quality.
    Heat, flames and sparks.
  Incompatible materials
    Strong oxidizing agentsStrong oxidizing agentsStrong oxidizing agents, Acid chlorides, Phosphorus
    halides, Strong acids, Strong reducing agents
  Hazardous decomposition products
    Other decomposition products - no data available

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 sensitization
    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
  Potential health effects
  Inhalation        May be harmful if inhaled. May cause respiratory tract irritation.    
  Ingestion        May be harmful if swallowed.    
  Skin        May be harmful if absorbed through skin. May cause skin irritation.    
  Eyes
    May cause eye irritation.
  Signs and Symptoms of Exposure
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.
  Additional Information
    RTECS: Not available

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
    no data available
  Other adverse effects
    no data available

Section 13. DISPOSAL CONSIDERATIONS
  Waste treatment methods
  Product
    This combustible material may be burned in a chemical incinerator equipped with an afterburner and
    scrubber. Offer surplus and non-recyclable solutions to a licensed disposal company.
  Contaminated packaging
    Dispose of as unused product.

Section 14. TRANSPORT INFORMATION
  UN number
    ADR/RID: -        IMDG: -        IATA: -    
  UN proper shipping name
    ADR/RID: Not dangerous goods
    IMDG: Not dangerous goods
    IATA:        Not dangerous goods    
  Transport hazard class(es)
    ADR/RID: -        IMDG: -        IATA: -    
  Packaging group
    ADR/RID: -        IMDG: -        IATA: -    
  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
    no data available

Section 16. OTHER INFORMATION
  Further information
    Copyright 2012 Co. LLC. License granted to make unlimited paper copies for internal use
    only.
    The above information is believed to be correct but does not purport to be all inclusive and shall be
    used only as a guide. The information in this document is based on the present state of our knowledge
    and is applicable to the product with regard to appropriate safety precautions. It does not represent any
    guarantee of the properties of the product. Corporation and its Affiliates shall not be held
    liable for any damage resulting from handling or from contact with the above product. See
     and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.