9-芴酮-4-甲酰氯

9-芴酮-4-甲酰氯 基本信息
CAS号 7071-83-2 分子式 C14H7ClO2
分子量 242.65700 精确质量  242.01300
PSA  34.14000 LogP  3.27700

基本信息 展开↓

CAS号:
7071-83-2
3D弹球模型:
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分子式:
C14H7ClO2
分子量:
242.65700
中文名称:
9-芴酮-4-甲酰氯
英文名称:
9-oxofluorene-4-carbonyl chloride
中文别名:
9-芴酮-4-甲酰氯;
9-氧代-4-芴甲酰氯
英文别名:
9-oxofluorene-4-carbonyl chloride;
9-Oxo-fluoren-4-carbonylchlorid;
9-Oxo-4-fluorenecarbonyl chloride;
9-fluorenone-4-carboxylic acid chloride;
9-oxo-fluorene-4-carbonyl chloride;
fluorene-9-one-4-carboxylic chloride;
9-Fluorenone-4-carbonyl chloride
精确分子量/精确质量:
242.01300
极性分子表面积/PSA:
34.14000
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:
MFCD00009931
PubChem:
24855005
InChI:
The Key: XKCGWCQMEUASJF-UHFFFAOYSA-N

物化性质展开↓

密度:
1.417g/cm3
熔点:
139-141ºC(lit.)
沸点:
420.1ºC at 760 mmHg
闪点:
177.4ºC
折射率:
1.672

安全信息展开↓

包装等级:
III
海关代码:
2918300090
危险类别码:
34-40
安全说明:
26-36/37/39-45
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)。
:

合成路线查看所有的合成路线

  • 71-43-2

  • 7071-83-2

    9-芴酮-4-甲酰氯

  • 6050-13-1

    联苯酸酐

  • 7071-83-2

    9-芴酮-4-甲酰氯

  • 863305-32-2

    biphenyl-2,2'-dicarboxylic acid

  • 7071-83-2

    9-芴酮-4-甲酰氯

化学图谱

  1. 9-芴酮-4-甲酰氯红外图谱(IR1)

  2. 9-芴酮-4-甲酰氯红外图谱(IR2)

  3. 9-芴酮-4-甲酰氯质谱(MS)

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MSDS 展开↓


SECTION 1: Identification of the substance/mixture and of the company/undertaking
  Product identifiers
    Product name        : 9-Fluorenone-4-carbonyl chloride    
    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.        : 7071-83-2    
  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
  Classification according to Regulation (EC) No 1272/2008
    Skin corrosion (Category 1B), H314
    Carcinogenicity (Category 2), H351
    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        R40    
    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)
    H314        Causes severe skin burns and eye damage.    
    H351        Suspected of causing cancer.    
    Precautionary statement(s)
    P280        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.
    P310        Immediately call a POISON CENTER or doctor/ physician.    
    Supplemental Hazard        none    
    Statements
  Other hazards - none

SECTION 3: Composition/information on ingredients
    Synonyms        : 9-Oxo-4-fluorenecarbonyl chloride    
    Formula        : C14H7ClO2    
    Molecular Weight        : 242,66 g/mol    
  Hazardous ingredients according to Regulation (EC) No 1272/2008
    Component        Classification        Concentration    
  9-Fluorenone-4-carbonyl chloride
    CAS-No.        7071-83-2        Skin Corr. 1B; H314        <= 100 %    
  Methylene chloride
    CAS-No.        75-09-2        Carc. 2; H351        1 - 10 %    
    EC-No.        200-838-9    
    Index-No.        602-004-00-3    
  Hazardous ingredients according to Directive 1999/45/EC
    Component        Classification        Concentration    
  9-Fluorenone-4-carbonyl chloride
    CAS-No.        7071-83-2        C, R34        <= 100 %    
  Methylene chloride
    CAS-No.        75-09-2        Xn, Carc.Cat.3, R40        1 - 10 %    
    EC-No.        200-838-9    
    Index-No.        602-004-00-3    
    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. 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, Hydrogen chloride gas
  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.
  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 contact with skin and eyes. 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.
    Recommended storage temperature: 2 - 8 °C
    Moisture sensitive.
  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
    Face shield and safety glasses 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 particle
    respirator type N100 (US) or type P3 (EN 143) 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.

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        Melting point/range: 139 - 141 °C - lit.    
    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: 3,07
    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
    Exposure to moisture.
  Incompatible materials
    Strong oxidizing agents, Strong bases
  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:        2B - Group 2B: Possibly carcinogenic to humans (Methylene chloride)    
  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
    burning sensation, Cough, wheezing, laryngitis, Shortness of breath, spasm, inflammation and edema of
    the larynx, spasm, inflammation and edema of the bronchi, pneumonitis, pulmonary edema, Material is
    extremely destructive to tissue of the mucous membranes and upper respiratory tract, eyes, and skin.

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
    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: 3261        IMDG: 3261        IATA: 3261    
  UN proper shipping name
    ADR/RID: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S. (9-Fluorenone-4-carbonyl chloride)
    IMDG: CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S. (9-Fluorenone-4-carbonyl chloride)
    IATA:        Corrosive solid, acidic, organic, n.o.s. (9-Fluorenone-4-carbonyl chloride)    
  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
N/A


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2918300090

概述:
2918300090 其他含醛基或酮基不含其他含氧基羧酸(包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物). 增值税率:17.0% 退税率:9.0% 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
摘要/Summary:
2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0%

分子结构与计算化学数据展开↓

计算化学数据


1.疏水参数计算参考值(XlogP):3.6

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:1

5.互变异构体数量:无

6.拓扑分子极性表面积34.1

7.重原子数量:17

8.表面电荷:0

9.复杂度:352

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:0

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
  • 6223-83-2

    9-芴酮-4-甲酸

  • 863305-32-2

    biphenyl-2,2'-dicarboxylic acid

  • 6050-13-1

    联苯酸酐

  • 71-43-2

下游产品

更多
  • 4269-19-6

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  • 4269-20-9

    4-Cyano-9-fluorenone

  • 42135-38-6

    9-氧代-9h-芴-4-羧酰胺

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