5-Isobenzofurancarbonitrile,1-(4-fluorophenyl)-1,3-dihydro-

物化性质

外观与性状：

白色至淡黄色晶体粉末

密度：

1.29

熔点：

95-97°C

沸点：

375°C

闪点：

180.8ºC

折射率：

1.62

存储条件/存储方法：

存放在密封容器内，并放在阴凉，干燥处。

稳定性相关：

远离氧化物。

其它信息：

1. 性状：固体。

2. 密度（g/mL,25/4℃）：1.29

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：95-97

5. 沸点（ºC,常压）：375

6. 沸点（ºC,5.2kPa）：未确定

7. 折射率：未确定

8. 闪点（ºC）：未确定

9. 比旋光度（º）：未确定

10. 自燃点或引燃温度（ºC）：未确定

11. 蒸气压（kPa,25ºC）：未确定

12. 饱和蒸气压（kPa,60ºC）：未确定

13. 燃烧热（KJ/mol）：未确定

14. 临界温度（ºC）：未确定

15. 临界压力（KPa）：未确定

16. 油水（辛醇/水）分配系数的对数值：未确定

17. 爆炸上限（%,V/V）：未确定

18. 爆炸下限（%,V/V）：未确定

19. 溶解性：未确定。

安全信息

外观与性状：

白色至淡黄色晶体粉末

密度：

1.29

熔点：

95-97°C

沸点：

375°C

闪点：

180.8ºC

折射率：

1.62

存储条件/存储方法：

存放在密封容器内，并放在阴凉，干燥处。

稳定性相关：

远离氧化物。

其它信息：

1. 性状：固体。

2. 密度（g/mL,25/4℃）：1.29

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：95-97

5. 沸点（ºC,常压）：375

6. 沸点（ºC,5.2kPa）：未确定

7. 折射率：未确定

8. 闪点（ºC）：未确定

9. 比旋光度（º）：未确定

10. 自燃点或引燃温度（ºC）：未确定

11. 蒸气压（kPa,25ºC）：未确定

12. 饱和蒸气压（kPa,60ºC）：未确定

13. 燃烧热（KJ/mol）：未确定

14. 临界温度（ºC）：未确定

15. 临界压力（KPa）：未确定

16. 油水（辛醇/水）分配系数的对数值：未确定

17. 爆炸上限（%,V/V）：未确定

18. 爆炸下限（%,V/V）：未确定

19. 溶解性：未确定。

毒理性

生态数据：

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。

MSDS

1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran-5-Revision number: 5
carbonitrile
SAFETY DATA SHEET
Section1. IDENTIFICATION
Product name:1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile
Revision number:5
Section2. HAZARDS IDENTIFICATION
GHS classification
PHYSICAL HAZARDSNot classified
HEALTH HAZARDS
Acute toxicity (Oral)Category 4
Category 4
Acute toxicity (Dermal)
Acute toxicity (Inhalation)Category 4
Skin corrosion/irritationCategory 2
Serious eye damage/eye irritationCategory 2A
ENVIRONMENTAL HAZARDSNot classified
GHS label elements, including precautionary statements
Pictograms or hazard symbols
Signal wordWarning
Harmful if swallowed, in contact with skin or if inhaled
Hazard statements
Causes skin irritation
Causes serious eye irritation
Precautionary statements:
[Prevention]Avoid breathing dust/fume/gas/mist/vapours/spray.
Use only outdoors or in a well-ventilated area.
Do not eat, drink or smoke when using this product.
Wash hands thoroughly after handling.
Wear protective gloves and eye/face protection.
[Response]IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for
breathing. Call a POISON CENTER or doctor/physician if you feel unwell.
IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell.
Rinse mouth.
IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
if present and easy to do. Continue rinsing.
If eye irritation persists: Get medical advice/attention.
IF ON SKIN: Gently wash with plenty of soap and water.
If skin irritation occurs: Get medical advice/attention.
Wash contaminated clothing before reuse.
Call a POISON CENTER or doctor/physician if you feel unwell.
carbonitrile
Section2. HAZARDS IDENTIFICATION
[Disposal]Dispose of contents/container through a waste management company authorized by
the local government.
Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture:Substance
Components:1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile
>98.0%(GC)
Percent:
CAS Number:64169-67-1
Chemical Formula:C15H10FNO
Section4. FIRST AID MEASURES
Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Call a POISON CENTER or doctor/physician if you feel unwell.
Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
Skin contact:
soap and water. If skin irritation or rash occurs: Get medical advice/attention.
Rinse cautiously with water for several minutes. Remove contact lenses, if present
Eye contact:
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Ingestion:Call a POISON CENTER or doctor/physician if you feel unwell. Rinse mouth.
Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and air-
tight goggles.
Section5. FIRE-FIGHTING MEASURES
Suitable extinguishingDry chemical, foam, water spray, carbon dioxide.
media:
Precautions for firefighters: 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 personal protective equipment. Keep people away from and upwind of spill/leak.
protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
emergency procedures: 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
Precautions for safe handling
Handling is performed in a well ventilated place. Wear suitable protective equipment.
Technical measures:
Prevent dispersion of dust. Wash hands and face thoroughly after handling.
Use a local exhaust if dust or aerosol will be generated.
Advice on safe handling: Avoid contact with skin, eyes and clothing.
Conditions for safe storage, including any
incompatibilities
Keep container tightly closed. Store in a freezer.
Storage conditions:
Store locked up.
Store away from incompatible materials such as oxidizing agents.
Heat-sensitive
Comply with laws.
Packaging material:
carbonitrile
Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls:Install a closed system or local exhaust as possible so that workers should not be
exposed directly. 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.
Hand protection:Impervious gloves.
Safety goggles. A face-shield, if the situation requires.
Eye protection:
Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.
Section9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C):Solid
Crystal- Powder
Form:
Colour:Very pale yellow - Pale yellow
Odour:No data available
pH: No data available
Melting point/freezing point:100°C
Boiling point/range:No data available
Flash point:No data available
Flammability or explosive
limits:
Lower:No data available
Upper:No data available
Relative density:No data available
Solubility(ies):
[Water]No data available
[Other solvents]No data available
Section10. STABILITY AND REACTIVITY
Stable under proper conditions.
Chemical stability:
Possibility of hazardous No special reactivity has been reported.
reactions:
Incompatible materials: Oxidizing agents
Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Hydrogen fluoride
products:
Section11. TOXICOLOGICAL INFORMATION
Acute Toxicity:No data available
Skin corrosion/irritation: No data available
Serious eyeNo data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC =No data available
NTP =No data available
Reproductive toxicity:No data available
Section12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish:No data available
No data available
Crustacea:
Algae:No data available
Persistence / degradability: No data available
BioaccumulativeNo data available
potential(BCF):
Mobility in soil
carbonitrile
Section12. ECOLOGICAL INFORMATION
Log Pow:No data available
Soil adsorption (Koc): No data available
Henry's LawNo data available
constant(PaM3/mol):
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
Hazards Class:Does not correspond to the classification standard of the United Nations
UN-No:Not listed
Section15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002
and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport,
loading and unloading were prescribed.
SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据

中国海关编码：2932999099

概述：

2932999099. 其他仅含氧杂原子的杂环化合物. 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

摘要/Summary：

2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

分子结构与计算化学数据

分子结构数据

1、 摩尔折射率：65.07

2、 摩尔体积（m³/mol）：185.2

3、 等张比容（90.2K）：499.5

4、 表面张力（dyne/cm）：52.9

5、 极化率（10^-24cm³）：25.79

计算化学数据

1.疏水参数计算参考值（XlogP）:2.7

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:无

6.拓扑分子极性表面积33

7.重原子数量:18

8.表面电荷:0

9.复杂度:342

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