2-Propen-1-one,1-(4-fluorophenyl)-3-(3-nitrophenyl)-

物化性质

密度：

1.317g/cm3

熔点：

166-167ºC

沸点：

429.4ºC at 760mmHg

闪点：

213.5ºC

折射率：

1.634

蒸汽压：

1.41E-07mmHg at 25°C

存储条件/存储方法：

密闭于阴凉干燥环境中

稳定性相关：

遵照规定使用和储存则不会分解。

其它信息：

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）：166-167

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

安全信息

密度：

1.317g/cm3

熔点：

166-167ºC

沸点：

429.4ºC at 760mmHg

闪点：

213.5ºC

折射率：

1.634

蒸汽压：

1.41E-07mmHg at 25°C

存储条件/存储方法：

密闭于阴凉干燥环境中

稳定性相关：

遵照规定使用和储存则不会分解。

其它信息：

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）：166-167

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

毒理性

生态数据：

该物质对环境可能有危害，对水体应给予特别注意。

MSDS

Name:	3-Nitro-4 -fluorochalcone Material Safety Data Sheet
Synonym:	1-(4-Fluorophenyl)-3-(3-nitrophenyl)-2-propen-1-one
CAS:	28081-18-7

Section 1 - Chemical Product   MSDS Name:3-Nitro-4 -fluorochalcone Material Safety Data Sheet
Synonym:1-(4-Fluorophenyl)-3-(3-nitrophenyl)-2-propen-1-one
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
28081-18-7	3-Nitro-4'-fluorochalcone	100	unlisted

Hazard Symbols: XI
Risk Phrases: 38
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation.
Ingestion:
May cause irritation of the digestive tract.
Inhalation:
Causes respiratory tract irritation.
Chronic:
No information found.
Section 4 - FIRST AID MEASURES
  Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.
Section 5 - FIRE FIGHTING MEASURES
  General Information:
Not available.
Extinguishing Media:
Not available.
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. Avoid generating dusty conditions. 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. Avoid breathing dust.
Storage:
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# 28081-18-7: 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: Powder
Color: light yellow
Odor: No data
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 166-167 deg C
Autoignition Temperature: Not available.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Insoluble.
Specific Gravity/Density:
Molecular Formula: C15H10FNO3
Molecular Weight: 271.25
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, fluoride fumes.
Hazardous Polymerization: Has not been reported
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 28081-18-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
3-Nitro-4'-fluorochalcone - 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: XI
Risk Phrases:
R 38 Irritating to skin.
Safety Phrases:
S 37 Wear suitable gloves.
WGK (Water Danger/Protection)
CAS# 28081-18-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 28081-18-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 28081-18-7 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据

中国海关编码：2914700090

概述：

2914700090 其他酮及醌的卤化、磺化衍生物（包括硝化和亚硝化衍生物）. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%

申报要素：

品名, 成分含量, 用途, 丙酮报明包装

摘要/Summary：

HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

分子结构与计算化学数据

分子结构数据

1、 摩尔折射率：73.64

2、 摩尔体积（m³/mol）：205.8

3、 等张比容（90.2K）：553.5

4、 表面张力（dyne/cm）：52.2

5、 极化率（10^-24cm³）：29.19

计算化学数据

1、 疏水参数计算参考值（XlogP）：3.4

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）：60.2

6、 重原子数量：20

7、 表面电荷：0

8、 复杂度：383

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：1

14、 共价键单元数量：1