4-[3,5-二甲基-4-(4-硝基苄氧基)苯基]-4-氧代丁酸琥珀酰亚胺酯,948995-62-8，生产厂家，价格-洛克化工网移动版

4-[3,5-二甲基-4-(4-硝基苄氧基)苯基]-4-氧代丁酸琥珀酰亚胺酯

中文名称：: 4-[3,5-二甲基-4-(4-硝基苄氧基)苯基]-4-氧代丁酸琥珀酰亚胺酯

中文别名：: 4-[3,5-二甲基-4-(4-硝基苄氧基)苯基]-4-氧代丁酸琥珀酰亚胺酯;
4-[3,5-二甲基-4-(4-硝基苄氧基)苯基]-4-氧代丁酸琥珀酰亚胺酯(>96.0%(HPLC))

英文名称：: Succinimidyl 4-[3,5-Dimethyl-4-(4-nitrobenzyloxy)phenyl]-4-oxobutyrate

英文别名：: (2,5-dioxopyrrolidin-1-yl) 4-[3,5-dimethyl-4-[(4-nitrophenyl)methoxy]phenyl]-4-oxobutanoate;
S0808

CAS No.：: 948995-62-8

分子式：: C23H22N2O8

分子量：: 0

精确分子量：: 454.13800

PSA：: 135.80000

SDS：: 查看

4-[3,5-二甲基-4-(4-硝基苄氧基)苯基]-4-氧代丁酸琥珀酰亚胺酯制备方法及用途

制备方法

4-[3,5-二甲基-4-(4-硝基苄氧基)苯基]-4-氧代丁酸琥珀酰亚胺酯是一个由Maki 等人开发的光裂解分子标记物, 在离子激光照射后能够选择性和重复性的产生一个MS检测离子。比如, 4-[3,5-二甲基-4-(4-硝基苄氧基)苯基]-4-氧代丁酸琥珀酰亚胺酯与氨基酸, 短肽, 糖衍生物反应生成加成物, 其中, 在负离子模式下的LDI-MS检测,不需要其他基质即可完成。应用实例如下图所示:

用途简介

用途

4-[3,5-二甲基-4-(4-硝基苄氧基)苯基]-4-氧代丁酸琥珀酰亚胺酯是一个由Maki 等人开发的光裂解分子标记物, 在离子激光照射后能够选择性和重复性的产生一个MS检测离子。比如, 4-[3,5-二甲基-4-(4-硝基苄氧基)苯基]-4-氧代丁酸琥珀酰亚胺酯与氨基酸, 短肽, 糖衍生物反应生成加成物, 其中, 在负离子模式下的LDI-MS检测，不需要其他基质即可完成。应用实例如下图所示：

4-[3,5-二甲基-4-(4-硝基苄氧基)苯基]-4-氧代丁酸琥珀酰亚胺酯物化性质

密度：: 1.391g/cm3
沸点：: 652.02ºC at 760 mmHg
闪点：: 348.129ºC
折射率：: 1.616
其它信息：: 1.性状：白色类白色晶体粉末

4-[3,5-二甲基-4-(4-硝基苄氧基)苯基]-4-氧代丁酸琥珀酰亚胺酯 MSDS

  Succinimidyl 4-[3,5-Dimethyl-4-(4-
  nitrobenzyloxy)phenyl]-4-oxobutyrate
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
Product name: Succinimidyl 4-[3,5-Dimethyl-4-(4-nitrobenzyloxy)phenyl]-4-oxobutyrate

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS        Not classified
    Not classified
  HEALTH HAZARDS
  ENVIRONMENTAL HAZARDS        Not classified
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols        None
  Signal word        No signal word
  Hazard statements        None
  Precautionary statements:        None

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
    Substance
  Substance/mixture:
  Components:        Succinimidyl 4-[3,5-Dimethyl-4-(4-nitrobenzyloxy)phenyl]-4-oxobutyrate
    >96.0%(LC)
  Percent:
  CAS Number:        948995-62-8
    4-[3,5-Dimethyl-4-(4-nitrobenzyloxy)phenyl]-4-oxobutyric Acid Succinimidyl Ester
  Synonyms:
  Chemical Formula:        C23H22N2O8

Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.
    Get medical advice/attention if you feel unwell.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Rinse skin with
    water/shower. If skin irritation or rash occurs: Get medical advice/attention.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present
    and easy to do. Continue rinsing. If eye irritation persists: Get medical
    advice/attention.
    Get medical advice/attention if you feel unwell. Rinse mouth.
  Ingestion:
  Protection of first-aiders:        A rescuer should wear personal protective equipment, such as rubber gloves and air-
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
    Dry chemical, foam, water spray, carbon dioxide.
  Suitable extinguishing
  media:
  Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
  from the chemical:        generate poisonous fume.
  Succinimidyl 4-[3,5-Dimethyl-4-(4-
  nitrobenzyloxy)phenyl]-4-oxobutyrate

Section 5. FIRE-FIGHTING MEASURES
  Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Remove movable
    containers if safe to do so.
  Special protective        When extinguishing fire, be sure to wear personal protective equipment.
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
    Use personal protective equipment. Keep people away from and upwind of spill/leak.
  Personal precautions,
  protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
  emergency procedures: roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
  containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
  up: appropriate laws and regulations.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
    Handling is performed in a well ventilated place. Wear suitable protective equipment.
  Technical measures:
    Prevent dispersion of dust. Wash hands and face thoroughly after handling.
    Use a local exhaust if dust or aerosol will be generated.
  Advice on safe handling: Avoid contact with skin, eyes and clothing.
  Conditions for safe storage, including any
  incompatibilities
  Storage conditions:        Keep container tightly closed. Store in a refrigerator.
    Store under inert gas.
    Protect from moisture.
    Store away from incompatible materials such as oxidizing agents.
    Heat-sensitive, Moisture-sensitive
  Packaging material:        Comply with laws.

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
  Engineering controls:        Install a closed system or local exhaust as possible so that workers should not be
    exposed directly. Also install safety shower and eye bath.
  Personal protective equipment
  Respiratory protection: Dust respirator. Follow local and national regulations.
  Hand protection:        Protective gloves.
    Safety glasses. A face-shield, if the situation requires.
  Eye protection:
  Skin and body protection: Protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Solid
    Crystal- Powder
  Form:
  Colour:        White - Almost white
    No data available
  Odour:
  pH: No data available
  Melting point/freezing point:No data available
  Boiling point/range:        No data available
    No data available
  Flash point:
  Flammability or explosive
  limits:
  Lower:        No data available
  Upper:        No data available
  Relative density:        No data available
  Solubility(ies):
  [Water]        No data available
  Succinimidyl 4-[3,5-Dimethyl-4-(4-
  nitrobenzyloxy)phenyl]-4-oxobutyrate

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
[Other solvents] No data available

Section 10. STABILITY AND REACTIVITY
  Chemical stability:        Stable under proper conditions.
  Possibility of hazardous No special reactivity has been reported.
  reactions:
  Incompatible materials: Oxidizing agents
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx)
  products:

Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        No data available
  Skin corrosion/irritation: No data available
  Serious eye        No data available
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
  IARC =        No data available
    No data available
  NTP =
  Reproductive toxicity:        No data available

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available
  Crustacea:        No data available
    No data available
  Algae:
  Persistence / degradability: No data available
    No data available
  Bioaccumulative
  potential(BCF):
  Mobility in soil
  Log Pow:        No data available
  Soil adsorption (Koc):        No data available
  Henry's Law        No data available
  constant(PaM3/mol):

Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
    with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
    Observe all federal, state and local regulations when disposing of the substance.

Section 14. TRANSPORT INFORMATION
Hazards Class: Does not correspond to the classification standard of the United Nations
UN-No: Not listed

Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
  and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
    loading and unloading were prescribed.
  Succinimidyl 4-[3,5-Dimethyl-4-(4-
  nitrobenzyloxy)phenyl]-4-oxobutyrate

SECTION 16 - ADDITIONAL INFORMATION
N/A

4-[3,5-二甲基-4-(4-硝基苄氧基)苯基]-4-氧代丁酸琥珀酰亚胺酯分子结构与计算化学数据

分子结构数据

1、摩尔折射率：114.19

2、摩尔体积（cm³/mol）：326.5

3、等张比容（90.2K）：928.1

4、表面张力（dyne/cm）：65.2

5、极化率（10-24cm3）：45.27

计算化学数据

1.疏水参数计算参考值（XlogP）:2.5

2.氢键供体数量:0

3.氢键受体数量:8

4.可旋转化学键数量:9

5.互变异构体数量:6

6.拓扑分子极性表面积136

7.重原子数量:33

8.表面电荷:0

9.复杂度:743

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

4-[3,5-二甲基-4-(4-硝基苄氧基)苯基]-4-氧代丁酸琥珀酰亚胺酯上游产品

N-羟基丁二酰亚胺 2,6-二甲基苯甲醚 4-(4-甲氧基-3,5-二甲基苯基)-4-氧代丁酸