948995-62-8

948995-62-8结构式

常用中文名：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
常用英文名：Succinimidyl 4-[3,5-Dimethyl-4-(4-nitrobenzyloxy)phenyl]-4-oxobutyrate
CAS号：948995-62-8
分子式：C₂₃H₂₂N₂O₈
分子量：454.429
发布时间：2019-01-19 03:56:09
更新时间：2024-01-09 16:42:34
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：

中文名	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
英文名	(2,5-dioxopyrrolidin-1-yl) 4-[3,5-dimethyl-4-[(4-nitrophenyl)methoxy]phenyl]-4-oxobutanoate
英文别名	2,5-Pyrrolidinedione, 1-[4-[3,5-dimethyl-4-[(4-nitrophenyl)methoxy]phenyl]-1,4-dioxobutoxy]- s0808 1-[(4-{3,5-Dimethyl-4-[(4-nitrobenzyl)oxy]phenyl}-4-oxobutanoyl)oxy]pyrrolidine-2,5-dione 1-[(4-{3,5-Dimethyl-4-[(4-nitrobenzyl)oxy]phenyl}-4-oxobutanoyl)oxy]-2,5-pyrrolidinedione

密度	1.4±0.1 g/cm3
沸点	652.0±65.0 °C at 760 mmHg
分子式	C₂₃H₂₂N₂O₈
分子量	454.429
闪点	348.1±34.3 °C
精确质量	454.137604
PSA	135.80000
LogP	2.25
外观性状	白色-微浅黄色晶体-粉末
蒸汽压	0.0±2.0 mmHg at 25°C
折射率	1.616
储存条件	2-8℃，充氩保存
分子结构	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	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
更多	1.性状：白色类白色晶体粉末

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

Section1. IDENTIFICATION
Product name:Succinimidyl 4-[3,5-Dimethyl-4-(4-nitrobenzyloxy)phenyl]-4-oxobutyrate

Section2. HAZARDS IDENTIFICATION

GHS classification
PHYSICAL HAZARDSNot classified
Not classified
HEALTH HAZARDS
ENVIRONMENTAL HAZARDSNot classified
GHS label elements, including precautionary statements
Pictograms or hazard symbolsNone
Signal wordNo signal word
Hazard statementsNone
Precautionary statements:None

Section3. 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

Section4. 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.

Section5. 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

Section5. 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 protectiveWhen extinguishing fire, be sure to wear personal protective equipment.
equipment for firefighters:

Section6. 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.

Section7. 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.

Section8. 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.

Section9. 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

Section9. PHYSICAL AND CHEMICAL PROPERTIES
[Other solvents]No data available

Section10. 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:

Section11. TOXICOLOGICAL INFORMATION
Acute Toxicity:No data available
Skin corrosion/irritation: No data available
Serious eyeNo data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC =No data available
No data available
NTP =
Reproductive toxicity:No data available

Section12. 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 LawNo data available
constant(PaM3/mol):

Section13. 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.

Section14. TRANSPORT INFORMATION
Hazards Class:Does not correspond to the classification standard of the United Nations
UN-No:Not listed

Section15. 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

1012794-99-8

6066-82-6

~97%

948995-62-8

文献：Gathirwa, Jeremiah W.; Maki, Toshihide Synthetic Communications, 2013 , vol. 43, # 7 p. 1016 - 1022