4,4’-二甲氧基查耳酮

4,4’-二甲氧基查耳酮 基本信息
CAS号 2373-89-9 分子式 C17H16O3
分子量 268.30700 精确质量  268.11000
PSA  35.53000 LogP  3.59990

基本信息 展开↓

CAS号:
2373-89-9
3D弹球模型:
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分子式:
C17H16O3
分子量:
268.30700
中文名称:
4,4’-二甲氧基查耳酮
英文名称:
4,4'-DIMETHOXYCHALCONE
中文别名:
4,4’-二甲氧基查耳酮;
4,4-二甲氧基查尔酮
英文别名:
4,4'-DIMETHOXYCHALCONE;
1,3-bis-(4-methoxyphenyl)-propenone;
(E)-1,3-BIS(4-METHOXYPHENYL)PROP-2-EN-1-ONE;
DIMETHOXYCHALCONE,4,4'-(RG);
DIMETHOXYCHALCONE,4,4';
2-Propen-1-one,1,3-bis(4-methoxyphenyl);
4,4'-dimethoxy-chalcone;
4,4'-DIMETHOXYBENZYLIDENEACETOPHENONE;
4,4'-Dimethoxy-chalkon;
1,3-bis-{4-methoxy-phenyl}-propen-(1)-one-(3);
1,3-BIS(4-METHOXYPHENYL)PROP-2-EN-1-ONE
精确分子量/精确质量:
268.11000
极性分子表面积/PSA:
35.53000
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:
MFCD00025815
BRN:
1622293
InChI:
The Key: HDXVSZWKIHQDES-UHFFFAOYSA-N

物化性质展开↓

密度:
1.128g/cm3
熔点:
101°C
沸点:
444.6ºC at 760 mmHg
闪点:
214.6ºC
折射率:
1.591
蒸汽压:
4.23E-08mmHg at 25°C
存储条件/存储方法:

保持容器密封,放入紧密的出藏器内,储存在阴凉,干燥的地方

稳定性相关:

避免氧化物接触

其它信息:

1.      性状:黄色晶体状粉末

2.      密度(g/L,20ºC):未确定

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):100-102

5.      沸点(ºC,常压):未确定

6.      沸点(ºC 35mmHg):未确定

7.      折射率nD20):未确定

8.      闪点(ºF未确定

9.      比旋光度():未确定

10.   自燃点或引燃温度(ºC):未确定

11.   蒸气压(Pa,20ºC):未确定

12.   饱和蒸气压(kPa,20ºC):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:不能溶解的

安全信息展开↓

海关代码:
2914509090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
安全说明:
S61
危险标志:
N

合成路线查看所有的合成路线

  • 108-94-1

    环己酮

  • +

  • 123-11-5

    对甲氧基苯甲醛

  • +

  • 109-77-3

    丙二腈

  • ~98%

  • 2373-89-9

    4,4’-二甲氧基查耳酮

  • 123-11-5

    对甲氧基苯甲醛

  • +

  • 100-06-1

    对甲氧基苯乙酮

  • ~97%

  • 2373-89-9

    4,4’-二甲氧基查耳酮

  • 100-66-3

    苯甲醚

  • +

  • 42996-84-9

    (2E)-3-(4-甲氧基苯基)丙烯酰氯

  • ~92%

  • 2373-89-9

    4,4’-二甲氧基查耳酮

毒理性展开↓

生态数据:

通常对水是不危害的,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
    Product name        : 4,4'-DIMETHOXYCHALCONE    
    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.        : 2373-89-9    
  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
  Classification according to Regulation (EC) No 1272/2008
    Acute aquatic toxicity (Category 1), H400
    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
    N Dangerous for the        R50/53    
    environment
    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        Warning    
    Hazard statement(s)
    H400        Very toxic to aquatic life.    
    Precautionary statement(s)
    P273        Avoid release to the environment.    
    Supplemental Hazard        none    
    Statements
  Other hazards - none

SECTION 3: Composition/information on ingredients
  Substances
    Formula        : C17H16O3    
    Molecular Weight        : 268,32 g/mol    
    CAS-No.        : 2373-89-9    
  Hazardous ingredients according to Regulation (EC) No 1272/2008
    Component        Classification        Concentration    
  4,4'-DIMETHOXYCHALCONE
    Aquatic Acute 1; H400        -    
  Hazardous ingredients according to Directive 1999/45/EC
    Component        Classification        Concentration    
  4,4'-DIMETHOXYCHALCONE
    N, R50/53        -    
    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
    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
    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
  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
    Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure
    adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
    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
    Pick up and arrange disposal without creating dust. Sweep up and shovel. 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 formation of dust and aerosols.
    Provide appropriate exhaust ventilation at places where dust is formed.
    For precautions see section 2.2.
  Conditions for safe storage, including any incompatibilities
    Store in cool place. Keep container tightly closed in a dry and well-ventilated 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
    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
    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
    Choose body protection in relation to its type, to the concentration and amount of dangerous
    substances, and to the specific work-place., The type of protective equipment must be selected
    according to the concentration and amount of the dangerous substance at the specific workplace.
  Respiratory protection
    Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
    use type N95 (US) or type P1 (EN 143) dust masks. 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: solid    
    b) Odour        no data available    
    c) Odour Threshold        no data available    
    d) pH        no data available    
    e) Melting point/freezing        no data available    
    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        no data available    
    o) Partition coefficient: n- log Pow: 3,741
    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
    Strong oxidizing agents
  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
    Very toxic to aquatic life.
    no data available

SECTION 13: Disposal considerations
  Waste treatment methods
  Product
    Offer surplus and non-recyclable solutions to a licensed disposal company. Dissolve or mix the material
    with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
  Contaminated packaging
    Dispose of as unused product.

SECTION 14: Transport information
  UN number
    ADR/RID: 3077        IMDG: 3077        IATA: 3077    
  UN proper shipping name
    ADR/RID: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (4,4'-
    DIMETHOXYCHALCONE)
    IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (4,4'-
    DIMETHOXYCHALCONE)
    IATA:        Environmentally hazardous substance, solid, n.o.s. (4,4'-DIMETHOXYCHALCONE)    
  Transport hazard class(es)
    ADR/RID: 9        IMDG: 9        IATA: 9    
  Packaging group
    ADR/RID: III        IMDG: III        IATA: III    
  Environmental hazards
    ADR/RID: yes        IMDG Marine pollutant: yes        IATA: yes    
  Special precautions for user
  Further information
    EHS-Mark required (ADR 2.2.9.1.10, IMDG code 2.10.3) for single packagings and combination
    packagings containing inner packagings with Dangerous Goods > 5L for liquids or > 5kg for solids.



SECTION 15 - REGULATORY INFORMATION
N/A


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2914509090

概述:
2914509090 含其他含氧基的酮. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 丙酮报明包装
摘要/Summary:
HS:2914509090 other ketones with other oxygen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% 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:80.46

2、   摩尔体积m3/mol237.8

3、   等张比容(90.2K):604.3

4、   表面张力dyne/cm41.6

5、   极化率10-24cm331.89

计算化学数据


1、   疏水参数计算参考值(XlogP):3

2、   氢键供体数量:0

3、   氢键受体数量:3

4、   可旋转化学键数量:5

5、   互变异构体数量:

6、   拓扑分子极性表面积(TPSA):35.5

7、   重原子数量:20

8、   表面电荷:0

9、   复杂度:321

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:0

13、确定化学键立构中心数量:1

14、不确定化学键立构中心数量:0

15、共价键单元数量:1

上下游相关产品

上游产品

更多
  • 100-66-3

    苯甲醚

  • 42996-84-9

    (2E)-3-(4-甲氧基苯基)丙烯酰氯

  • 123-11-5

    对甲氧基苯甲醛

  • 100-06-1

    对甲氧基苯乙酮

  • 59258-25-2

    2,3-dibromo-1,3-bis(4-methoxyphenyl)propan-1-one

下游产品

更多
  • 23073-04-3

    2,4-bis(4-methoxyphenyl)-4-oxobutanenitrile

  • 20615-47-8

    1,3-bis(4-methoxyphenyl)propan-1-one

  • 10180-07-1

    3,5-bis(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole

  • 33567-23-6

    2,4,6-tris(4-methoxyphenyl)pyridine

  • 2132-80-1

    4,4-二甲氧基联苯

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