Fmoc-L-3,3-二苯基丙氨酸; N-芴甲氧羰基-L-3,3-二苯基丙氨酸

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 结构与计算化学

Fmoc-L-3,3-二苯基丙氨酸; N-芴甲氧羰基-L-3,3-二苯基丙氨酸 基本信息

中文名称:
Fmoc-L-3,3-二苯基丙氨酸; N-芴甲氧羰基-L-3,3-二苯基丙氨酸 
中文别名:
Fmoc-L-3,3-二苯基丙氨酸;
芴甲氧羰基-Β-二苯基-L-苯丙氨酸;
FMOC-N-L-BETA-二苯基丙氨酸;
Fmoc-β-phenyl-Phe-OH;
N-FMOC-3,3-联苯基-L-丙氨酸;
N-Fmoc-3,3-联苯基-L-丙氨酸 
英文名称:
L-Phenylalanine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-b-phenyl-
英文别名:
Fmoc-L-3,3-diphenylalanine;
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3,3-diphenylpropanoic acid;
Fmoc-3,3-diphenyl-L-alanine;
N-Fmoc-3,3-diphenyl-L-alanine 
CAS No.:
201484-50-6
分 子 式:
C30H25NO4
分 子 量:
463.52
精确分子量:
463.17800
PSA:
75.63000
MDL:
MFCD00672337
BRN:
8873562
风险术语:
50/53
分子结构式:
SDS:
查看

Fmoc-L-3,3-二苯基丙氨酸; N-芴甲氧羰基-L-3,3-二苯基丙氨酸 物化性质

熔点:
125-129 °C(lit.)
闪点:
63 °C
存储条件/存储方法:

密封储存,储存于阴凉、干燥的库房。冷藏温度为2-8ºC

稳定性相关:

常温常压下稳定,避免与强氧化剂接触。

其它信息:

1.      性状:白色结晶

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):125-129

5.      沸点(ºC,常压):未确定

6.      沸点(ºC0.2mmHg):未确定

7.      折射率(n20/D):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(mmHg,20ºC):未确定

12.   饱和蒸气压(kPa,25ºC):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:4.637

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

Fmoc-L-3,3-二苯基丙氨酸; N-芴甲氧羰基-L-3,3-二苯基丙氨酸 安全信息

WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
50/53
安全说明:
S60-S61
危险标志:
N,Xi

Fmoc-L-3,3-二苯基丙氨酸; N-芴甲氧羰基-L-3,3-二苯基丙氨酸 MSDS


Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
  Product identifiers
    : Fmoc-β-phenyl-Phe-OH
    Product name
    CAS-No.        : 201484-50-6    
  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 [EU-GHS/CLP]
    Acute aquatic toxicity (Category 1)
    Chronic aquatic toxicity (Category 1)
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
  Label elements
  Labelling according Regulation (EC) No 1272/2008 [CLP]
    Pictogram
    Signal word        Warning    
    Hazard statement(s)
    H410        Very toxic to aquatic life with long lasting effects.    
    Precautionary statement(s)
    P273        Avoid release to the environment.    
    P501        Dispose of contents/ container to an approved waste disposal plant.    
    Supplemental Hazard        none    
    Statements
  According to European Directive 67/548/EEC as amended.
    Hazard symbol(s)
    R-phrase(s)
    R50/53        Very toxic to aquatic organisms, may cause long-term adverse effects in    
    the aquatic environment.
    S-phrase(s)
    S60        This material and its container must be disposed of as hazardous waste.    
    S61        Avoid release to the environment. Refer to special instructions/ Safety    
    data sheets.
    Caution - substance not yet tested completely.
  Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substances
    Synonyms        : Fmoc-3,3-diphenyl-L-alanine    
    Fmoc-β,β-diphenyl-Ala-OH
    N-(9-Fluorenylmethoxycarbonyl)-β-phenyl-L-phenylalanine
    Formula        : C30H25NO4    
    Molecular Weight        : 463,52 g/mol    
    Component        Concentration    
  Fmoc-β-phenyl-Phe-OH
    CAS-No.        201484-50-6        -    

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
  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
    no data available

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions, protective equipment and emergency procedures
    Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Evacuate
    personnel to safe areas.
  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
    Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
    protection.
  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
  Specific end uses
    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
    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.
    Immersion protection
    Material: Nitrile rubber
    Minimum layer thickness: 0,11 mm
    Break through time: > 480 min
    Material tested:Dermatril® ( Z677272, Size M)
    Splash protection
    Material: Nitrile rubber
    Minimum layer thickness: 0,11 mm
    Break through time: > 30 min
    Material tested:Dermatril® ( Z677272, Size M)
    data source: KCL GmbH, D-36124 Eichenzell, phone +49 (0)6659 873000     test method: EN374
    If used in solution, or mixed with other substances, and under conditions which differ from EN 374,
    contact the supplier of the CE approved gloves. This recommendation is advisory only and must
    be evaluated by an Industrial Hygienist familiar with the specific situation of anticipated use by our
    customers. It should not be construed as offering an approval for any specific use scenario.
  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).

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Information on basic physical and chemical properties
    a) Appearance        Form: crystalline    
    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: 125 - 129 °C    
    point
    f) Initial boiling point and no data available
    boiling range
    g) Flash point        no data available    
    h) Evaporation 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: 4,637
    octanol/water
    p) Autoignition        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
    no data available
  Incompatible materials
    Strong oxidizing 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.    
  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
    Very toxic to aquatic life.

Section 13. DISPOSAL CONSIDERATIONS
  Waste treatment methods
  Product
    Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
    professional waste disposal service to dispose of this material. 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. (Fmoc-β-phenyl-Phe-OH)
    ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (Fmoc-β-phenyl-Phe-OH)
    IMDG:
    Environmentally hazardous substance, solid, n.o.s. (Fmoc-β-phenyl-Phe-OH)
    IATA:
  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
    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.

Fmoc-L-3,3-二苯基丙氨酸; N-芴甲氧羰基-L-3,3-二苯基丙氨酸 分子结构与计算化学数据

分子结构数据

1、   疏水参数计算参考值(XlogP):6.1

2、   氢键供体数量:2

3、   氢键受体数量:4

4、   可旋转化学键数量:8

5、   互变异构体数量:2

6、   拓扑分子极性表面积(TPSA):75.6

7、   重原子数量:35

8、   表面电荷:0

9、   复杂度:673

10、同位素原子数量:0

11、确定原子立构中心数量:1

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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