17575-15-4

(4-羟基-7-甲氧基香豆酯,4-Hydroxy-7-methoxycoumarin)
4-羟基-7-甲氧基香豆酯结构式图片|17575-15-4结构式图片
4-羟基-7-甲氧基香豆酯
4-Hydroxy-7-methoxycoumarin
17575-15-4
C10H8O4
192.1681
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:4-羟基-7-甲氧基香豆酯结构式
4-羟基-7-甲氧基香豆酯MOL
354333320

名称和标识符

MDLMFCD00673700
InChIKeyMJBHLQMPKBMZSF-UHFFFAOYSA-N
Inchi1S/C10H8O4/c1-13-6-2-3-7-8(11)5-10(12)14-9(7)4-6/h2-5,11H,1H3
SMILESO1C(C([H])=C(C2C([H])=C([H])C(=C([H])C1=2)OC([H])([H])[H])O[H])=O

别名信息

- 中文别名 -

  • 4-羟基-7-甲氧基香豆酯
  • 4-羟基-7-甲氧基香豆素
  • 4-乙酰氧基-7-甲基茚满

- 英文别名 -

  • 4-Hydroxy-7-methoxycoumarin
  • 2H-1-Benzopyran-2-one,4-hydroxy-7-methoxy-
  • 4-hydroxy-7-methoxychromen-2-one
  • AURORA KA-3735
  • 4-Hydroxy-herniarin
  • 7-METHOXY-4-HYDROXYCOUMARIN
  • 4-Hydroxy-7-methoxy-2H-chromen-2-one
  • 4-Hydroxy-7-Methoxy-2H-1-benzopyran-2-one
  • 4-Hydroxy-7-methoxy-2H-chromen-2-one, 4-Hydroxy-7-methoxy-2-oxo-2H-chromene
  • 4-Hydroxy-7-methoxycoumarin,95%
  • 4-HYDROXY-7-METHOXYCOUMARIN 97%
  • 2H-1-BENZOPYRAN-2-ONE, 4-HYDROXY-7-METHOXY-
  • 2-hydroxy-7-methoxy-4h-chromen-4-one
  • 4-hydroxy-7-met hoxycoumarin
  • 4-Hydroxy-7-methoxy-coumarin
  • MJBHLQMPKBMZSF-UHFFFAOYSA-N
  • 2-hydroxy-7-methoxychromen-4-one
  • CS-0063810
  • H1420
  • BB 0259567
  • SCHEMBL3911979
  • DTXSID40715868
  • 17575-15-4
  • MFCD00673700
  • T71936
  • J-011130
  • AS-65812
  • AKOS005175104
  • CHEMBL1631881
  • A1-00331
  • 1ST164142
  • 4-hydroxy-7-methoxycoumarin, AldrichCPR
  • FT-0618671
  • NS00116896
  • 4-hydroxy-7-methoxy-2H-chromen-2-one
  • 4-hydroxy-7-methoxy-2H-chromen-2-one
  • 4-hydroxy-7-methoxy-2H-chromen-2-one
  • 4-hydroxy-7-methoxy-2H-chromen-2-one
  • 4-hydroxy-7-methoxy-2H-chromen-2-one
  • 4-hydroxy-7-methoxy-2H-chromen-2-one
  • 2H-1-Benzopyran-2-one, 4-hydroxy-7-methoxy-
  • 2H-1-Benzopyran-2-one, 4-hydroxy-7-methoxy-
  • 2H-1-Benzopyran-2-one, 4-hydroxy-7-methoxy-
  • 2H-1-Benzopyran-2-one, 4-hydroxy-7-methoxy-
  • 2H-1-Benzopyran-2-one, 4-hydroxy-7-methoxy-
  • 2H-1-Benzopyran-2-one, 4-hydroxy-7-methoxy-
  • 4-Hydroxy-7-methoxy-2H-1-benzopyran-2-one
  • 4-Hydroxy-7-methoxy-2H-1-benzopyran-2-one
  • 4-Hydroxy-7-methoxy-2H-1-benzopyran-2-one
  • 4-Hydroxy-7-methoxy-2H-1-benzopyran-2-one
  • 4-Hydroxy-7-methoxy-2H-1-benzopyran-2-one
  • 4-Hydroxy-7-methoxy-2H-1-benzopyran-2-one
  • 4-HYDROXY-7-METHOXYCOUMARIN
  • 4-HYDROXY-7-METHOXYCOUMARIN
  • 4-HYDROXY-7-METHOXYCOUMARIN
  • 4-HYDROXY-7-METHOXYCOUMARIN
  • 4-HYDROXY-7-METHOXYCOUMARIN
  • 4-HYDROXY-7-METHOXYCOUMARIN

物化性质

实验特性

LogP1.50720
PSA59.67000
折射率1.4440 (estimate)
沸点390.141 ℃ at 760 mmHg
熔点263-265 °C
闪点141.5 ºC
颜色与性状不确定
溶解性不确定
最大波长(λmax)308(EtOH)(lit.)
密度1.0825 (rough estimate)

计算特性

精确分子量192.04200
氢键供体数量1
氢键受体数量4
可旋转化学键数量1
同位素质量192.042
重原子数量14
复杂度271
同位素原子数量0
确定原子立构中心数量0
不确定原子立构中心数量0
确定化学键立构中心数量0
不确定化学键立构中心数量0
共价键单元数量1
疏水参数计算参考值(XlogP)1.7
互变异构体数量3
表面电荷0
拓扑分子极性表面积55.8

海关数据

海关编码2932209090
海关数据

中国海关编码:

2932209090

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%

专业数据库参考

PubChemId354333320

参考资料

Reaxys RN170546
BeilsteinH156925

4-羟基-7-甲氧基香豆酯 MSDS

基础信息

Name:4-Hydroxy-7-Methoxycoumarin Material Safety Data Sheet
Synonym:None
CAS:17575-15-4
Section 1 - Chemical Product ? MSDS Name:4-Hydroxy-7-Methoxycoumarin Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
17575-15-44-Hydroxy-7-Methoxycoumarin100unlisted
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
? Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
? General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
? General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
? Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed.
Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
? Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 17575-15-4: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A NIOSH/MSHA approved or European Standard EN 149 air purifying respirator with an organic vapor cartridge or canister may be permissible under certain circumstances where airborne concentrations are expected.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C10H8O4
Molecular Weight: 192.0536

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 17575-15-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Hydroxy-7-Methoxycoumarin - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
?

Section 13 - DISPOSAL CONSIDERATIONS
? Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
?
IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION
?
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 17575-15-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 17575-15-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 17575-15-4 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A
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