2747-04-8

2747-04-8结构式

常用中文名：7-乙酰氧基-4-溴甲基香豆素
常用英文名：4-(Bromomethyl)-2-oxo-2H-chromen-7-yl acetate
CAS号：2747-04-8
分子式：C₁₂H₉BrO₄
分子量：297.102
相关类别：医药中间体杂环化合物吡喃类化合物
发布时间：2018-02-15 08:00:00
更新时间：2024-01-02 19:08:50
7-乙酰氧基-4-溴甲基香豆素作为脂肪酸的荧光标记。

中文名	7-乙酰氧基-4-溴甲基香豆素
英文名	[4-(bromomethyl)-2-oxochromen-7-yl] acetate
中文别名	4-溴甲基-7-乙酸香豆素
英文别名	7-acetoxy-4-bromomethyl-chromen-2-one 7-acetoxy-4-bromomethyl-coumarin 7-acetoxy-4-bromomethyl-2H-1-benzopyran-2-one 4-(Bromomethyl)-2-oxo-2H-chromen-7-yl acetate 2H-1-Benzopyran-2-one, 7-(acetyloxy)-4-(bromomethyl)- 4-Bromomethyl-7-acetoxycoumarin BR-MAC MFCD00010707 7-ACETOXY-4-BROMOMETHYLCOUMARIN 7-Acetoxy-4-brommethyl-cumarin

描述	7-乙酰氧基-4-溴甲基香豆素作为脂肪酸的荧光标记。
相关类别	信号通路 >> 其他 >> 其他研究领域 >> 代谢疾病
参考文献	[1]. Rheinhardt J H, et al. Reduction of 4-(bromomethyl)-2-oxo-2H-chromen-7-yl acetate at carbon cathodes in dimethylformamide and acetonitrile: Lifetime of the electrogenerated radical–anion. Journal of electroanalytical chemistry, 2011, 654(1-2): 44-51.

密度	1.6±0.1 g/cm3
沸点	414.4±45.0 °C at 760 mmHg
熔点	180-182°C
分子式	C₁₂H₉BrO₄
分子量	297.102
闪点	204.4±28.7 °C
精确质量	295.968414
PSA	56.51000
LogP	2.22
外观性状	固体;White to Light yellow powder to crystal
蒸汽压	0.0±1.0 mmHg at 25°C
折射率	1.595
储存条件	密闭于阴凉干燥环境中
稳定性	遵照规定使用和储存则不会分解。
分子结构	1、摩尔折射率：63.52 2、摩尔体积（m³/mol）：186.9 3、等张比容（90.2K）：498.6 4、表面张力（dyne/cm）：50.6 5、极化率（10^-24cm³）：25.18
计算化学	1、疏水参数计算参考值（XlogP）：2.2 2、氢键供体数量：0 3、氢键受体数量：4 4、可旋转化学键数量：3 5、拓扑分子极性表面积（TPSA）：52.6 6、重原子数量：17 7、表面电荷：0 8、复杂度：364 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：0 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
更多	1. 性状：无可用 2. 密度（g/mL,25/4℃）：无可用 3. 相对蒸汽密度（g/mL,空气=1）：无可用 4. 熔点（ºC）：180-182 5. 沸点（ºC,常压）：无可用 6. 沸点（ºC,5.2kPa）：无可用 7. 折射率：无可用 8. 闪点（ºC）：无可用 9. 比旋光度（º）：无可用 10. 自燃点或引燃温度（ºC）：无可用 11. 蒸气压（kPa,25ºC）：无可用 12. 饱和蒸气压（kPa,60ºC）：无可用 13. 燃烧热（KJ/mol）：无可用 14. 临界温度（ºC）：无可用 15. 临界压力（KPa）：无可用 16. 油水（辛醇/水）分配系数的对数值：无可用 17. 爆炸上限（%,V/V）：无可用 18. 爆炸下限（%,V/V）：无可用 19. 溶解性：无可用

7-Acetoxy-4-bromomethylcoumarin [for HPLC Labeling] Revision number: 1
SAFETY DATA SHEET

Section1. BASE INFORMATION
Product name:7-Acetoxy-4-bromomethylcoumarin [for HPLC Labeling]

Revision number:1

Section2. HAZARDS IDENTIFICATION
Classification of the GHS
PHYSICAL HAZARDS
Corrosive to metalsCategory 1
HEALTH HAZARDS
Skin corrosion/irritationCategory 1B
Category 1
Serious eye damage/eye irritation
ENVIRONMENTAL HAZARDSNot classified
GHS label elements
Pictograms or hazard symbols
Signal wordDanger
Hazard statementMay be corrosive to metals
Causes severe skin burns and eye damage
Precautionary statements
Keep only in original container.
[Prevention]
Do not breathe.
Wash hands thoroughly after handling.
Wear protective gloves/eye protection/face protection.
IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for
[Response]
breathing.
IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
if present and easy to do. Continue rinsing.
IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse
skin with water/shower.
Wash contaminated clothing before reuse.
Immediately call a POISON CENTER or doctor/physician.
Absorb spillage to prevent material damage.
[Storage]Store locked up.
[Disposal]Dispose of contents/container through a waste management company authorized by
the local government

Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance
Substance/mixture:
Labeling]

Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Component(s):7-Acetoxy-4-bromomethylcoumarin [for HPLC Labeling]
Percent:>98.0%(LC)(T)
CAS Number:2747-04-8
Chemical Formula:C12H9BrO4

Section4. FIRST AID MEASURES
Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Inhalation:
Immediately call a POISON CENTER or doctor/physician.
Skin contact:Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
soap and water. Immediately call a POISON CENTER or doctor/physician.
Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing.Immediately call a POISON CENTER or
doctor/physician.
Ingestion:Immediately call a POISON CENTER or doctor/physician. Rinse mouth. Do NOT
induce vomiting.
A rescuer should wear personal protective equipment, such as rubber gloves and air-
Protection of first-aiders:
tight goggles.

Section5. FIRE-FIGHTING MEASURES
Suitable extinguishingDry chemical, foam, water spray, carbon dioxide.
media:
Specific hazards:Take care as it may decompose upon combustion or in high temperatures to
generate poisonous fume.
Specific methods: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
Personal precautions,Use extra personal protective equipment (P3 filter respirator for toxic particles). Keep
protective equipment and people away from and upwind of spill/leak. Entry to non-involved personnel should
emergency procedures: be controlled around the leakage area by 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
Handling
Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent dispersion of dust. Wash hands and face thoroughly after handling.
Use a closed system if possible. Use a local exhaust if dust or aerosol will be
generated.
Advice on safe handling:Avoid contact with skin, eyes and clothing.
Use corrosive resistant equipment.
Storage
Storage conditions:Keep container tightly closed. Store in a cool and dark place.
Store under inert gas.
Protect from moisture.
Store locked up.
Store away from incompatible materials such as oxidizing agents.
Packaging material:Law is followed. Keep only in original container.
Labeling]

Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls:Install a closed system or local exhaust. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Dust respirator, self-contained breathing apparatus(SCBA), supplied air respirator,
etc. Use respirators approved under appropriate government standards and follow
local and national regulations.
Impervious gloves.
Hand protection:
Eye protection:Safety goggles. A face-shield, if the situation requires.
Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.

Section9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C):Solid
Form:crystal - powder
White - Slightly pale yellow
Color:
Odor:No data available
pH: No data available
Melting point/freezing point:182 °C
Boiling Point/Range:No data available
Flash Point:No data available
Explosive limits
Lower:No data available
No data available
Upper:
Density:No data available
No data available
Solubility:

Section10. STABILITY AND REACTIVITY
Stability:Stable under proper conditions.
Reactivity:No special reactivity has been reported.
Conditions to avoid:Light-sensitive, Moisture-sensitive
Incompartible materials: oxidizing agents, bases
Hazardous Decomposition Carbon monoxide, Carbon dioxide, Hydrogen bromide
Products:

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

Section12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish:No data available
Crustacea:No data available
Algae:No data available
Persistence / degradability: No data available
BioaccumulativeNo data available
potential(BCF):
Mobillity in soil
log Pow:No data available
Soil adsorption (Koc):No data available
Henry's LawNo data available
constant(PaM3/mol):
Labeling]

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
8: Corrosive.
Hazards Class:
UN-No:3261
Corrosive solid, acidic, organic, n.o.s.
Proper shipping name:
Packing group:II

Section15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26,
2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were
prescribed.

SECTION 16 - ADDITIONAL INFORMATION
N/A

生态学数据:

该物质对环境可能有危害，对水体应给予特别注意。

危害码 (欧洲)	C: Corrosive;
风险声明 (欧洲)	34
安全声明 (欧洲)	S22-S26-S36/37/39-S45-S27
危险品运输编码	1759
包装等级	III
危险类别	8
海关编码	2932209090

2747-05-9

~61%

2747-04-8

文献：Cerus Corporation Patent: US6133460 A1, 2000 ;

上游产品 1
2747-05-9
下游产品 1
161798-25-0

海关编码	2932209090
中文概述	2932209090. 其他内酯. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途
Summary	2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2747-04-8	2747-05-9
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