51787-96-3

51787-96-3结构式

常用中文名：5-(4-氟苯基)-4,5-二氢-2(3H)-呋喃酮
常用英文名：4,5-Dihydro-5-(4-fluorophenyl)-2(3H)-furanone
CAS号：51787-96-3
分子式：C₁₀H₉FO₂
分子量：180.17600
发布时间：2019-01-01 06:33:49
更新时间：2024-01-08 17:20:07
【用途一】
医药中间体
【用途二】
五氟利多的中间体。

中文名	5-(4-氟苯基)-4,5-二氢-2(3H)-呋喃酮
英文名	5-(4-fluorophenyl)oxolan-2-one
中文别名	4,5-二氢-5-(4-氟苯基)-2(3H)-呋喃酮 gamma-(4-氟苯基)-gamma-丁内酯 4-(4-氟苯基)丁内酯 Γ-(4-氟苯基)-Γ-丁内酮 5-(4-氟苯基)-二氢-2(3H)-呋喃酮
英文别名	MFCD08443601 EINECS 257-422-5

密度	0.899 g/mL at 25 °C(lit.)
沸点	35 °C
熔点	-118 °C
分子式	C₁₀H₉FO₂
分子量	180.17600
闪点	−31 °F
精确质量	180.05900
PSA	26.30000
LogP	2.20380
外观性状	透明无色液体
折射率	n20/D 1.395(lit.)
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。
水溶解性	3.1 g/L (20 ºC)
分子结构	1、摩尔折射率：无可用 2、摩尔体积（cm³/mol）：无可用 3、等张比容（90.2K）：无可用 4、表面张力（dyne/cm）：无可用 5、极化率：无可用
计算化学	1.疏水参数计算参考值（XlogP）:1.8 2.氢键供体数量:0 3.氢键受体数量:3 4.可旋转化学键数量:1 5.互变异构体数量:2 6.拓扑分子极性表面积26.3 7.重原子数量:13 8.表面电荷:0 9.复杂度:197 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:1 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：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）：无可用 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

Name:	gamma-(4-Fluorophenyl)-gamma-butyrolactone 98% Material Safety Data Sheet
Synonym:	5-(4-Fluorophenyl)-dihydro-2(3H)-furanon
CAS:	51787-96-3

Section 1 - Chemical Product MSDS Name:gamma-(4-Fluorophenyl)-gamma-butyrolactone 98% Material Safety Data Sheet
Synonym:5-(4-Fluorophenyl)-dihydro-2(3H)-furanon

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
51787-96-3	gamma-(4-Fluorophenyl)-gamma-butyrolac	98	257-422-5

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.
Skin:
May cause skin irritation.
Ingestion:
May cause irritation of the digestive tract. 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: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
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:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
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 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. Absorb spill using an absorbent, non-combustible material such as earth, sand, or vermiculite. Do not use combustible materials such as sawdust. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. 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:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 51787-96-3: 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 respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Clear liquid
Color: clear, colorless
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: viscous
Boiling Point: 129.0 - 131.0 deg C @ 1.00mba
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: > 110 deg C (> 230.00 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: 1.2000g/cm3
Molecular Formula: C10H9FO2
Molecular Weight: 180.18

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 51787-96-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
gamma-(4-Fluorophenyl)-gamma-butyrolactone - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
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# 51787-96-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 51787-96-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 51787-96-3 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

生态学数据:

通常对水是不危害的，若无政府许可，勿将材料排入周围环境。

危害码 (欧洲)	F,Xi
风险声明 (欧洲)	R11:Highly Flammable. R36/37/38:Irritating to eyes, respiratory system and skin .
安全声明 (欧洲)	S9-S29
危险品运输编码	UN 2456 3/PG 1
WGK德国	3
包装等级	I
危险类别	3
海关编码	29031980

366-77-8

51787-96-3

文献：ONO PHARMACEUTICAL CO., LTD. Patent: EP1475368 A1, 2004 ; Location in patent: Page 45 ;

589-06-0

~72%

51787-96-3

文献：Dohi, Toshifumi; Takenaga, Naoko; Goto, Akihiro; Maruyama, Akinobu; Kita, Yasuyuki Organic Letters, 2007 , vol. 9, # 16 p. 3129 - 3132

1356451-41-6

~91%

51787-96-3

文献：Reddy, Maddi Sridhar; Kumar, Yalla Kiran; Thirupathi, Nuligonda Organic Letters, 2012 , vol. 14, # 3 p. 824 - 827

405-99-2

108-24-7

~94%

51787-96-3

文献：Huang, Liangbin; Jiang, Huanfeng; Qi, Chaorong; Liu, Xiaohang Journal of the American Chemical Society, 2010 , vol. 132, # 50 p. 17652 - 17654

459-57-4

51787-96-3

文献：Reddy, Maddi Sridhar; Kumar, Yalla Kiran; Thirupathi, Nuligonda Organic Letters, 2012 , vol. 14, # 3 p. 824 - 827

上游产品 5
366-77-8 589-06-0 405-99-2 108-24-7
459-57-4
下游产品 5
20662-52-6 14578-67-7 50337-85-4 56740-71-7
57668-61-8

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%

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