苯并[j]荧蒽

苯并[j]荧蒽 基本信息
CAS号 205-82-3 分子式 C20H12
分子量 252.30900 精确质量  252.09400
PSA  0.00000 LogP  5.64040

基本信息 展开↓

CAS号:
205-82-3
3D弹球模型:
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分子式:
C20H12
分子量:
252.30900
中文名称:
苯并[j]荧蒽
英文名称:
Benzo[j]fluoranthene
中文别名:
苯并[j]荧蒽;
苯并荧蒽
英文别名:
Benzo[j]fluoranthene;
10,11-Benzofluoranthene;
Benzofluoroanthen;
7,8-Benzofluoranthene;
10,11-Benzfluoranthene
精确分子量/精确质量:
252.09400
极性分子表面积/PSA:
0.00000
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:
MFCD03453280
EINECS:
205-910-3
PubChem:
24892168
BRN:
2049099
InChI:
The Key: KHNYNFUTFKJLDD-UHFFFAOYSA-N

生产制备方法及用途展开↓

制备方法


标准样品。癌症研究。

用途简介


用途


标准样品。癌症研究。

物化性质展开↓

密度:
1.286g/cm3
熔点:
166ºC
沸点:
467.5ºC at 760mmHg
闪点:
228.6ºC
折射率:
1.887
蒸汽压:
1.81E-08mmHg at 25°C
存储条件/存储方法:
通风低温干燥
稳定性相关:

1. 存在于主流烟气中。

2. IARC致癌性评估:证据充分,引发活性。

其它信息:

1.性状:黄色结晶。

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):165

5.沸点(ºC,常压):490~495

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):未确定

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:未确定

安全信息展开↓

包装等级:
III
风险类别:
6.1(b)
海关代码:
2902909090
危险类别码:
45-50/53-63-43-36/37/38-23/24/25
危险标志:
T: Toxic;N: Dangerous for the environment;

合成路线查看所有的合成路线

  • 74983-82-7

    74983-82-7

  • ~93%

  • 205-82-3

    苯并[j]荧蒽

  • 18522-48-0

    18522-48-0

  • ~91%

  • 205-82-3

    苯并[j]荧蒽

  • 146746-41-0

    8-hydroxy-1-(1-naphtyl)naphthalene triflate

  • ~90%

  • 205-82-3

    苯并[j]荧蒽

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DF6300000
CHEMICAL NAME :
Benzo(j)fluoranthene
CAS REGISTRY NUMBER :
205-82-3
BEILSTEIN REFERENCE NO. :
2049099
LAST UPDATED :
199710
DATA ITEMS CITED :
18
MOLECULAR FORMULA :
C20-H12
MOLECULAR WEIGHT :
252.32
WISWESSER LINE NOTATION :
L D6 C6566 1A TJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Implant
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
25 mg/kg
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors Tumorigenic - tumors at site of application
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
312 mg/kg/26W-I
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors Tumorigenic - tumors at site of application
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
11102 ug/kg/15D-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Lungs, Thorax, or Respiration - tumors Kidney, Ureter, Bladder - Kidney tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Implant
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
5 mg/kg
TOXIC EFFECTS :
Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Tumorigenic - tumors at site of application

MUTATION DATA

TEST SYSTEM :
Rodent - mouse
DOSE/DURATION :
3760 nmol/kg
REFERENCE :
PAACA3 Proceedings of the American Association for Cancer Research. (Waverly Press, 428 E. Preston St., Baltimore, MD 21202) V.1- 1954- Volume(issue)/page/year: 25,121,1984 *** REVIEWS *** IARC Cancer Review:Animal Limited Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 3,82,1973 IARC Cancer Review:Animal Sufficient Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 32,155,1983 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 32,155,1983 IARC Cancer Review:Group 2B IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,56,1987 TOXICOLOGY REVIEW 85DHAX "Medical and Biologic Effects of Environmental Pollutants Series," Washington, DC, National Academy of Sciences, 1972-77 Volume(issue)/page/year: Pc,4,1972 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-FRANCE;Carcinogen JAN 1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - E0465 No. of Facilities: 142 (estimated) No. of Industries: 3 No. of Occupations: 3 No. of Employees: 2283 (estimated)

MSDS 展开↓


SECTION 1: Identification of the substance/mixture and of the company/undertaking
  Product identifiers
    Product name        : Benzo[j]fluoranthene solution    
    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.
  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 irritation (Category 2), H315
    Eye irritation (Category 2), H319
    Carcinogenicity (Category 1B), H350
    Specific target organ toxicity - single exposure (Category 3), Respiratory system, Central nervous system,
    H335, H336
    Specific target organ toxicity - repeated exposure, Oral (Category 2), Liver, Blood, H373
    Specific target organ toxicity - repeated exposure, Inhalation (Category 2), Central nervous system, H373
    Chronic aquatic toxicity (Category 3), H412
    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
    T Toxic        R45    
    R67, R36/37/38
    R52/53
    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)
    H315        Causes skin irritation.    
    H319        Causes serious eye irritation.    
    H335        May cause respiratory irritation.    
    H336        May cause drowsiness or dizziness.    
    H350        May cause cancer.    
    H373        May cause damage to organs (Liver, Blood) through prolonged or    
    repeated exposure if swallowed.
    H373        May cause damage to organs (Central nervous system) through    
    prolonged or repeated exposure if inhaled.
    H412        Harmful to aquatic life with long lasting effects.    
    Precautionary statement(s)
    P201        Obtain special instructions before use.    
    P261        Avoid breathing vapours.    
    P273        Avoid release to the environment.    
    P305 + P351 + P338        IF IN EYES: Rinse cautiously with water for several minutes. Remove    
    contact lenses, if present and easy to do. Continue rinsing.
    P308 + P313        IF exposed or concerned: Get medical advice/ attention.    
    Supplemental Hazard        none    
    Statements
    Restricted to professional users.
  According to European Directive 67/548/EEC as amended.
    Hazard symbol(s)        T Toxic    
    R-phrase(s)
    R45        May cause cancer.    
    R36/37/38        Irritating to eyes, respiratory system and skin.    
    R52/53        Harmful to aquatic organisms, may cause long-term adverse effects in    
    the aquatic environment.
    R67        Vapours may cause drowsiness and dizziness.    
    S-phrase(s)
    S53        Avoid exposure - obtain special instructions before use.    
    S26        In case of contact with eyes, rinse immediately with plenty of water and    
    seek medical advice.
    S45        In case of accident or if you feel unwell, seek medical advice immediately    
    (show the label where possible).
    S61        Avoid release to the environment. Refer to special instructions/ Safety    
    data sheets.
    Restricted to professional users.
  Other hazards - none

SECTION 3: Composition/information on ingredients
  Mixtures
    Formula        : C20H12    
    Molecular Weight        : 252,31 g/mol    
  Hazardous ingredients according to Regulation (EC) No 1272/2008
    Component        Classification        Concentration    
  Methylene chloride
    CAS-No.        75-09-2        Skin Irrit. 2; Eye Irrit. 2; Carc.        <= 100 %    
    EC-No.        200-838-9        2; STOT SE 3; STOT RE 2;    
    Index-No.        602-004-00-3        H315, H319, H335, H336,    
    H351, H373, H373
  Benz(j)fluoranthene
    CAS-No.        205-82-3        Carc. 1B; Aquatic Acute 1;        0,1 - 0,25 %    
    EC-No.        205-910-3        Aquatic Chronic 1; H350,    
    Index-No.        601-035-00-X        H410    
  Hazardous ingredients according to Directive 1999/45/EC
    Component        Classification        Concentration    
  Methylene chloride
    CAS-No.        75-09-2        Xn, Carc.Cat.3, Xi, R36/37/38 <= 100 %    
    EC-No.        200-838-9        - R40 - R67    
    Index-No.        602-004-00-3    
  Benz(j)fluoranthene
    CAS-No.        205-82-3        T, N, Carc.Cat.2, R45 -        0,1 - 0,25 %    
    EC-No.        205-910-3        R50/53    
    Index-No.        601-035-00-X    
    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
    Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
  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, 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 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.Avoid exposure - obtain special
    instructions before use.
    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. Containers which are
    opened must be carefully resealed and kept upright to prevent leakage.
    Heat 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 respirator
    with multi-purpose combination (US) or type AXBEK (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    
    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 40,0 °C at 1.013,2 hPa
    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        470,9 hPa at 20,0 °C    
    l) Vapour density        no data available    
    m) Relative density        no data available    
    n) Water solubility        slightly soluble    
    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
    Bases, Alkali metals, Strong acids and strong bases, Strong oxidizing agents, Amines, Vinyl compounds,
    Aluminum, Magnesium
  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
  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)    
    IARC:        2B - Group 2B: Possibly carcinogenic to humans (Benz(j)fluoranthene)    
  Reproductive toxicity
    no data available
  Specific target organ toxicity - single exposure
    no data available
  Specific target organ toxicity - repeated exposure
    Inhalation - May cause damage to organs through prolonged or repeated exposure. - Central nervous
    system
    Oral - May cause damage to organs through prolonged or repeated exposure. - Liver, Blood
  Aspiration hazard
    no data available
  Additional Information
    RTECS: Not available
    Dichloromethane is metabolized in the body producing carbon monoxide which increases and sustains
    carboxyhemoglobin levels in the blood, reducing the oxygen-carrying capacity of the blood., Acts as a
    simple asphyxiant by displacing air., anesthetic effects, Breathing difficulties, Headache, Dizziness,
    Prolonged or repeated contact with skin may cause:, defatting, Dermatitis, Contact with eyes can cause:,
    Redness, Blurred vision, Provokes tears.

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 with long lasting effects.

SECTION 13: Disposal considerations
  Waste treatment methods
  Product
    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: 1593        IMDG: 1593        IATA: 1593    
  UN proper shipping name
    ADR/RID: DICHLOROMETHANE, SOLUTION
    IMDG: DICHLOROMETHANE, SOLUTION
    IATA:        Dichloromethane, SOLUTION    
  Transport hazard class(es)
    ADR/RID: 6.1        IMDG: 6.1        IATA: 6.1    
  Packaging group
    ADR/RID: III        IMDG: III        IATA: III    
  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:2902909090

概述:
2902909090. 其他芳香烃. 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:2.0%. 普通关税:30.0%
申报要素:
品名, 成分含量
摘要/Summary:
2902909090 other aromatic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。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:90.30

2、   摩尔体积(cm3/mol):196.0

3、   等张比容(90.2K):553.5

4、   表面张力(dyne/cm): 63.4

5、   介电常数:3.51

6、   偶极距(10-24cm3):无可用

7、   极化率:35.80

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:0

3.氢键受体数量:0

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积0

7.重原子数量:20

8.表面电荷:0

9.复杂度:372

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

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  • 18511-30-3

    N/A

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  • 61322-64-3

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下游产品

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  • 207-08-9

    苯并[k]荧蒽

  • 198-55-0

  • 203-12-3

    苯并[ghi]荧蒽

  • 216-48-8

    Cyclopenta[hi]chrysene

  • 98791-43-6

    Dicyclopenta[cd,jk]pyrene

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