5-Chloro-2-nitrobenzotrifluoride

物化性质

外观与性状：

无色至淡黄色液体

密度：

1.526 g/mL at 25 °C(lit.)

熔点：

21 °C

沸点：

222-224 °C

闪点：

217 °F

水溶解性：

168 mg/L (20 ºC)

折射率：

n20/D 1.499(lit.)

蒸汽压：

0.0933mmHg at 25°C

存储条件/存储方法：

密封于阴凉、干燥处保存。确保工作间有 良好的通风设施。储存的地方远离氧化剂。

稳定性相关：

避免与氧化物接触。

其它信息：

1. 性状：黄色液体。

2. 密度（g/mL,25℃）：1.526

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：21

5. 沸点（ºC,常压）：222-224

6. 沸点（ºC,kPa）：未确定

7. 折射率：1.499-1.501

8. 闪点（ºC）：102

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（mmHg,25ºC）：未确定

12. 饱和蒸气压（kPa, ºC）：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：

无色至淡黄色液体

密度：

1.526 g/mL at 25 °C(lit.)

熔点：

21 °C

沸点：

222-224 °C

闪点：

217 °F

水溶解性：

168 mg/L (20 ºC)

折射率：

n20/D 1.499(lit.)

蒸汽压：

0.0933mmHg at 25°C

存储条件/存储方法：

密封于阴凉、干燥处保存。确保工作间有 良好的通风设施。储存的地方远离氧化剂。

稳定性相关：

避免与氧化物接触。

其它信息：

1. 性状：黄色液体。

2. 密度（g/mL,25℃）：1.526

3. 相对蒸汽密度（g/mL,空气=1）：未确定

4. 熔点（ºC）：21

5. 沸点（ºC,常压）：222-224

6. 沸点（ºC,kPa）：未确定

7. 折射率：1.499-1.501

8. 闪点（ºC）：102

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（mmHg,25ºC）：未确定

12. 饱和蒸气压（kPa, ºC）：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：

对水有轻微的危害。

MSDS

Material Safety Data Sheet
Section1. Identification of the substance
Product Name:4-Chloro-1-nitro-2-(trifluoromethyl)benzene
Synonyms:
Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H315:Causes skin irritation
H319:Causes serious eye irritation
H335:May cause respiratory irritation
P261:Avoid breathing dust/fume/gas/mist/vapours/spray
P305+P351+P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present
and easy to do – continue rinsing
Section3. Composition/information on ingredients.
Ingredient name:4-Chloro-1-nitro-2-(trifluoromethyl)benzene
CAS number:118-83-2
Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
Eye contact:
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.
Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.
Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.
Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Storage:Store in closed vessels.
Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.
Section9. Physical and chemical properties
Appearance:Not specified
No data
Boiling point:
Melting point:No data
Flash point:No data
Density:No data
Molecular formula: C7H3ClF3NO2
Molecular weight: 225.6
Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides, hydrogen chloride, hydrogen fluoride.
Section11. Toxicological information
No data.
Section12. Ecological information
No data.
Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.
Section14. Transportation information
UN Number:UN2810Class: 6.1Packing group: III
Proper shipping name: TOXIC, LIQUIDS, ORGANIC, N.O.S. OR TOXIC, LIQUIDS, ORGANIC, N.O.S. INHALA-
TION HAZARD, PACKING GROUP I, ZONE A OR B (4-Chloro-1-nitro-2-(trifluoromethyl)benzene)
Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.
SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据

中国海关编码：2904909090

概述：

2904909090 其他烃的磺化、硝化、亚硝化衍生物（不论是否卤化）. 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

摘要/Summary：

HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none 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

五、分子性质数据：

1、 摩尔折射率：42.67

2、 摩尔体积（m³/mol）：146.7

3、 等张比容（90.2K）：355.8

4、 表面张力（dyne/cm）：34.5

5、 极化率（10^-24cm³）：16.91

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:0

3.氢键受体数量:5

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积45.8

7.重原子数量:14

8.表面电荷:0

9.复杂度:228

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