82419-32-7

82419-32-7结构式

常用中文名：2-丙酮氧基-3,4-二氟硝基苯
常用英文名：2-Acetonyloxy-3,4-difluoro nitrobenzene
CAS号：82419-32-7
分子式：C₉H₇F₂NO₄
分子量：231.15300
相关类别：有机原料有机氟化合物氟硝基苯系列
发布时间：2018-12-03 21:00:08
更新时间：2024-01-02 19:00:36
合成氧氟沙星的中间体。

中文名	2-丙酮氧基-3,4-二氟硝基苯
英文名	1-(2,3-difluoro-6-nitrophenoxy)propan-2-one
中文别名	醚酮
英文别名	3,4-difluoro-2-(2-oxopropyloxy)nitrobenzene MFCD00792468 2-acetonyloxy-3,4-difluoronitrobenzene 1-(2,3-difluoro-6-nitrophenoxy)acetone

密度	1.41 g/cm3
沸点	335.4ºC at 760 mmHg
熔点	40-45 °C
分子式	C₉H₇F₂NO₄
分子量	231.15300
闪点	156.6ºC
精确质量	231.03400
PSA	72.12000
LogP	2.36400
外观性状	黄色结晶粉末
折射率	1.507
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：48.75 2、摩尔体积（m³/mol）：163.8 3、等张比容（90.2K）：418.3 4、表面张力（dyne/cm）：42.5 5、极化率（10 ^-24cm ³）：19.32
计算化学	1.疏水参数计算参考值（XlogP）:1.7 2.氢键供体数量:0 3.氢键受体数量:6 4.可旋转化学键数量:3 5.互变异构体数量:3 6.拓扑分子极性表面积72.1 7.重原子数量:16 8.表面电荷:0 9.复杂度:281 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：固体 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）：40-45 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:	1-(2 3-Difluoro-6-Nitrophenoxy)-2-Propanone Material Safety Data Sheet
Synonym:	None Known
CAS:	82419-32-7

Section 1 - Chemical Product MSDS Name:1-(2 3-Difluoro-6-Nitrophenoxy)-2-Propanone Material Safety Data Sheet
Synonym:None Known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
82419-32-7	1-(2,3-Difluoro-6-Nitrophenoxy)-2-Prop	ca. 100	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION

EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

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. Wash mouth out with 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. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:
Treat symptomatically and supportively.

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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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

Section 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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# 82419-32-7: 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:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Not available.
Specific Gravity/Density:
Molecular Formula: C9H7F2NO4
Molecular Weight: 231.15

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

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 82419-32-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(2,3-Difluoro-6-Nitrophenoxy)-2-Propanone - 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: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 82419-32-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 82419-32-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 82419-32-7 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)	Xi:Irritant;
风险声明 (欧洲)	R36/37/38
安全声明 (欧洲)	S37/39-S26

82419-26-9

78-95-5

~63%

82419-32-7

文献：Hayakawa; Hiramitsu; Tanaka Chemical and Pharmaceutical Bulletin, 1984 , vol. 32, # 12 p. 4907 - 4913

771-69-7

82419-32-7

文献：Chemical and Pharmaceutical Bulletin, , vol. 32, # 12 p. 4907 - 4913

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