疣孢青霉原

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学
  • 上游产品

疣孢青霉原 基本信息

中文名称:
疣孢青霉原 
中文别名:
疣孢青霉原;
震颤真菌毒素 
英文名称:
5H,12H-3,4-Dioxa-5a,11a,15a-triazacyclooct[lm]indeno[5,6-b]fluorene-11,15(2H,13H)-dione,1,10,10a,14,14a,15b-hexahydro-10,10a-dihydroxy-7-methoxy-2,2-dimethyl-5-(2-methyl-1-propen-1-yl)-,(5R,10S,10aR,14aS,15bS)-
英文别名:
verruculogen;
VERRUCULOGEN;
tr1;
VERRUCULOGEN FROM PENICILLIUM VERRUCULOS;
TR-1TOXIN;
3h)-dione,1,10,10a,14,14a,15b-hexahydro-10,10a-dihydroxy-7-methoxy-2,2-dimeth;
VERRUCOLOGEN;
Verruculogenresearch grade 
CAS No.:
12771-72-1
分 子 式:
C27H33N3O7
分 子 量:
513.58
精确分子量:
513.24800
PSA:
112.01000
InChI:
The Key: LRXYHMMJJCTUMY-GWXUGYLUSA-N
风险术语:
R23/24/25
安全术语:
S45S36/S37/S39
分子结构式:
SDS:
查看

疣孢青霉原 物化性质

外观与性状:
白色粉末
密度:
1.49 g/cm3
熔点:
233ºC
沸点:
738.4ºC at 760 mmHg
闪点:
400.3ºC
折射率:
1.691
蒸汽压:
6.85E-23mmHg at 25°C
其它信息:

1.       性状:未确定

2.       密度(g/mL,25):未确定

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(ºC0.05mmHg):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(20ºC):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

疣孢青霉原 安全信息

危险类别码:
R23/24/25
安全说明:
36/37/39-45
安全标志:
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)。
:
危险标志:
T: Toxic;

疣孢青霉原 毒理性

毒理学数据:

1.        急性毒性:小鼠口服LD50127mg/kg;小鼠腹腔LD502400ug/kg;鸡口服LD50266mg/kg;鸡腹腔LD5015200ug/kg

疣孢青霉原 MSDS


SECTION 1: Identification of the substance/mixture and of the company/undertaking
  Product identifiers
    Product name        : Verruculogen 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
    Flammable liquids (Category 2), H225
    Acute toxicity, Oral (Category 4), H302
    Acute toxicity, Inhalation (Category 4), H332
    Acute toxicity, Dermal (Category 4), H312
    Eye irritation (Category 2), H319
    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
    F Highly flammable        R11    
    Xn Harmful        R20/21/22    
    Xi Irritant        R36    
    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)
    H225        Highly flammable liquid and vapour.    
    H302 + H312 + H332        Harmful if swallowed, in contact with skin or if inhaled    
    H319        Causes serious eye irritation.    
    Precautionary statement(s)
    P210        Keep away from heat/sparks/open flames/hot surfaces. - No smoking.    
    P280        Wear protective gloves/ protective clothing.    
    P305 + P351 + P338        IF IN EYES: Rinse cautiously with water for several minutes. Remove    
    contact lenses, if present and easy to do. Continue rinsing.
    Supplemental Hazard        none    
    Statements
  According to European Directive 67/548/EEC as amended.
    Hazard symbol(s)        F Highly flammable    
    Xn Harmful
    R-phrase(s)
    R11        Highly flammable.    
    R20/21/22        Harmful by inhalation, in contact with skin and if swallowed.    
    R36        Irritating to eyes.    
    S-phrase(s)
    S16        Keep away from sources of ignition - No smoking.    
    S26        In case of contact with eyes, rinse immediately with plenty of water and    
    seek medical advice.
    S36/37        Wear suitable protective clothing and gloves.    
  Other hazards - none

SECTION 3: Composition/information on ingredients
  Mixtures
    Molecular Weight        : 511,57 g/mol    
  Hazardous ingredients according to Regulation (EC) No 1272/2008
    Component        Classification        Concentration    
  Acetonitrile
    CAS-No.        75-05-8        Flam. Liq. 2; Acute Tox. 4; Eye 50 - 100 %    
    EC-No.        200-835-2        Irrit. 2; H225, H302 + H312 +    
    Index-No.        608-001-00-3        H332, H319    
    Registration number        01-2119471307-38-XXXX    
  Verruculogen from Penicillium verruculosum
    CAS-No.        12771-72-1        Acute Tox. 3; H301, H311,        10 - 20 %    
    H331
  Hazardous ingredients according to Directive 1999/45/EC
    Component        Classification        Concentration    
  Acetonitrile
    CAS-No.        75-05-8        F, Xn, R11 - R20/21/22 - R36        50 - 100 %    
    EC-No.        200-835-2    
    Index-No.        608-001-00-3    
    Registration number        01-2119471307-38-XXXX    
  Verruculogen from Penicillium verruculosum
    CAS-No.        12771-72-1        T, R23/24/25        10 - 20 %    
    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
    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)
  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
    Use personal protective equipment. Avoid breathing vapours, mist or gas. Ensure adequate ventilation.
    Remove all sources of ignition. Evacuate personnel to safe areas. Beware of vapours accumulating to
    form explosive concentrations. Vapours can accumulate in low 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.
  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).
  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.
    Keep away from sources of ignition - No smoking.Take measures to prevent the build up of electrostatic
    charge.
    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.
    Recommended storage temperature: -20 °C
  Specific end use(s)
    Apart 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, Flame retardant antistatic protective 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).
  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: 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 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- 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
    Heat, flames and sparks. Extremes of temperature and direct sunlight.
  Incompatible materials
    acids, Bases, Oxidizing agents, Reducing agents, Alkali metals
  Hazardous decomposition products
    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

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
    Burn in a chemical incinerator equipped with an afterburner and scrubber but exert extra care in igniting
    as this material is highly flammable. 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: 1648        IMDG: 1648        IATA: 1648    
  UN proper shipping name
    ADR/RID: ACETONITRILE, SOLUTION
    IMDG: ACETONITRILE, SOLUTION
    IATA:        Acetonitrile, SOLUTION    
  Transport hazard class(es)
    ADR/RID: 3        IMDG: 3        IATA: 3    
  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
    For this product a chemical safety assessment was not carried out

SECTION 16: Other information
  Full text of H-Statements referred to under sections 2 and 3.
    Acute Tox.        Acute toxicity    
    Eye Irrit.        Eye irritation    
    Flam. Liq.        Flammable liquids    
    H225        Highly flammable liquid and vapour.    
    H301        Toxic if swallowed.    
    H302        Harmful if swallowed.    
    H302 + H312 +        Harmful if swallowed, in contact with skin or if inhaled    
    H332
    H311        Toxic in contact with skin.    
    H312        Harmful in contact with skin.    
    H319        Causes serious eye irritation.    
    H331        Toxic if inhaled.    
    H332        Harmful if inhaled.    
  Full text of R-phrases referred to under sections 2 and 3
    F        Highly flammable    
    T        Toxic    
    R11        Highly flammable.    
    R20/21/22        Harmful by inhalation, in contact with skin and if swallowed.    
    R23/24/25        Toxic by inhalation, in contact with skin and if swallowed.    
    R36        Irritating to eyes.    
    Xn        Harmful    
  Further information
    Copyright 2014 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.

疣孢青霉原 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:133.50

2、   摩尔体积(m3/mol):360.5

3、   等张比容(90.2K):1042.6

4、   表面张力(dyne/cm):69.9

5、   极化率10-24cm3):52.92

计算化学数据

1、   疏水参数计算参考值(XlogP):1.8

2、   氢键供体数量:2

3、   氢键受体数量:7

4、   可旋转化学键数量:2

5、   拓扑分子极性表面积(TPSA):114

6、   重原子数量:37

7、   表面电荷:0

8、   复杂度:999

9、   同位素原子数量:0

10、   确定原子立构中心数量: 0

11、   不确定原子立构中心数量:5

12、   确定化学键立构中心数量:0

13、   不确定化学键立构中心数量:0

14、   共价键单元数量:1

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