1,2-Bis[2-methylbenzo[b]thiophen-3-yl]-3,3,4,4,5,5-hexafluoro-1-cyclopentene

物化性质

密度：

1.48g/cm3

熔点：

160ºC

沸点：

506.1ºC at 760 mmHg

闪点：

259.9ºC

折射率：

1.636

蒸汽压：

7.24E-10mmHg at 25°C

其它信息：

1.性状：未确定

2.密度（g/mL,20℃）：未确定

3.相对蒸汽密度（g/mL,空气=1）：未确定

4.熔点（ºC）：160

5.沸点（ºC,常压）：未确定

6.沸点（ºC,KPa）：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（Pa,20ºC）：未确定

12.饱和蒸气压（KPa,20ºC）：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

密度：

1.48g/cm3

熔点：

160ºC

沸点：

506.1ºC at 760 mmHg

闪点：

259.9ºC

折射率：

1.636

蒸汽压：

7.24E-10mmHg at 25°C

其它信息：

1.性状：未确定

2.密度（g/mL,20℃）：未确定

3.相对蒸汽密度（g/mL,空气=1）：未确定

4.熔点（ºC）：160

5.沸点（ºC,常压）：未确定

6.沸点（ºC,KPa）：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（Pa,20ºC）：未确定

12.饱和蒸气压（KPa,20ºC）：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

MSDS

1,2-Bis[2-methylbenzo[b]thiophen-3-yl]-3,3,4,4,5,5-
hexafluoro-1-cyclopentene
SAFETY DATA SHEET
Section1. IDENTIFICATION OF THE SUBSTANCE OR MIXTURE AND OF THE SUPPLIER
Product name:1,2-Bis[2-methylbenzo[b]thiophen-3-yl]-3,3,4,4,5,5-hexafluoro-1-cyclopentene
Section2. HAZARDS IDENTIFICATION
Classification of the GHS
Not classified
PHYSICAL HAZARDS
HEALTH HAZARDSNot classified
Not classified
ENVIRONMENTAL HAZARDS
GHS label elements
None
Pictograms or hazard symbols
Signal wordNo signal word
Hazard statementNone
Precautionary statementsNone
Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture:Substance
1,2-Bis[2-methylbenzo[b]thiophen-3-yl]-3,3,4,4,5,5-hexafluoro-1-cyclopentene
Component(s):
Percent:>97.0%(GC)
137814-07-4
CAS Number:
Chemical Formula:C23H14F6S2
Section4. FIRST AID MEASURES
Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Get medical advice/attention if you feel unwell.
Skin contact:Remove/Take off immediately all contaminated clothing. Rinse skin with
water/shower. If skin irritation or rash occurs: Get medical advice/attention.
Eye contact: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.
Get medical advice/attention if you feel unwell. Rinse mouth.
Ingestion:
Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and air-
tight goggles.
Section5. FIRE-FIGHTING MEASURES
Dry chemical, foam, water spray, carbon dioxide.
Suitable extinguishing
media:
Take care as it may decompose upon combustion or in high temperatures to
Specific hazards:
generate poisonous fume.
1,2-Bis[2-methylbenzo[b]thiophen-3-yl]-
3,3,4,4,5,5-hexafluoro-1-cyclopentene
Section5. FIRE-FIGHTING MEASURES
Specific methods: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
Use personal protective equipment. Keep people away from and upwind of spill/leak.
Personal precautions,
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
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.
Storage
Storage conditions:Keep container tightly closed. Store in a cool and dark place.
Store away from incompatible materials such as oxidizing agents.
Packaging material:Law is followed.
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. Follow local and national regulations.
Hand protection:Protective gloves.
Eye protection:Safety glasses. A face-shield, if the situation requires.
Skin and body protection: Protective clothing. Protective boots, if the situation requires.
Section9. PHYSICAL AND CHEMICAL PROPERTIES
Solid
Physical state (20°C):
Form:crystal - powder
Color:White - Slightly pale yellow
Odor:No data available
pH: No data available
Melting point/freezing point:160 °C
Boiling Point/Range:No data available
Flash Point:No data available
Explosive limits
Lower:No data available
Upper:No data available
Density:No data available
Solubility:Slightly soluble in: THF
Section10. STABILITY AND REACTIVITY
Stable under proper conditions.
Stability:
Reactivity:No special reactivity has been reported.
Light-sensitive
Conditions to avoid:
1,2-Bis[2-methylbenzo[b]thiophen-3-yl]-
3,3,4,4,5,5-hexafluoro-1-cyclopentene
Section10. STABILITY AND REACTIVITY
Incompartible materials: oxidizing agents
Hazardous Decomposition Carbon monoxide, Carbon dioxide, Hydrogen fluoride, Sulphur oxides
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):
Mobillity in soil
No data available
log Pow:
Soil adsorption (Koc):No data available
No data available
Henry's Law
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
Does not correspond to the classification standard of the United Nations
Hazards Class:
UN-No:Not Listed
Section15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26,
2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were
prescribed.
1,2-Bis[2-methylbenzo[b]thiophen-3-yl]-
3,3,4,4,5,5-hexafluoro-1-cyclopentene
SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据

分子结构数据

1、摩尔折射率：113.4

2、摩尔体积（cm³/mol）：315.9

3、等张比容（90.2K）：828.2

4、表面张力（dyne/cm）：47.2

5、介电常数：无可用的

6、极化率（10^-24cm³）：44.95

7、单一同位素质量：468.04411Da

8、标称质量：468Da

9、平均质量：468.4777Da

计算化学数据

1.疏水参数计算参考值（XlogP）:7.6

2.氢键供体数量:0

3.氢键受体数量:8

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积56.5

7.重原子数量:31

8.表面电荷:0

9.复杂度:705

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