5-氟-2-(三氟甲基)苯甲酰氯

5-氟-2-(三氟甲基)苯甲酰氯 基本信息
CAS号 216144-70-6 分子式 C8H3ClF4O
分子量 226.55500 精确质量  225.98100
PSA  17.07000 LogP  3.22350

基本信息 展开↓

CAS号:
216144-70-6
分子式:
C8H3ClF4O
分子量:
226.55500
中文名称:
5-氟-2-(三氟甲基)苯甲酰氯
英文名称:
5-FLUORO-2-(TRIFLUOROMETHYL)BENZOYL CHLORIDE
中文别名:
5-氟-2-(三氟甲基)苯甲酰氯;
α,α,α,5-四氟邻甲基苯甲酰氯
英文别名:
5-FLUORO-2-(TRIFLUOROMETHYL)BENZOYL CHLORIDE;
5-fluoro-2-trifluoromethylbenzoyl chloride;
α,α,α,5-Tetrafluoro-o-toluoyl Chloride;
5-Fluoro-2-(trifluoromethyl)benzoyl Chloride;
2-Trifluoromethyl-5-fluorobenzoyl chloride
精确分子量/精确质量:
225.98100
极性分子表面积/PSA:
17.07000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00083534
EINECS:
000-000-0
PubChem:
24869066
InChI:
InChI=1/C8H3ClF4O/c9-7(14)5-3-4(10)1-2-6(5)8(11,12)13/h1-3H

物化性质展开↓

密度:
1.5 g/mL at 25 °C(lit.)
熔点:
169ºC(lit.)
沸点:
169 °C(lit.)
闪点:
188 °F
折射率:
n20/D 1.463(lit.)
蒸汽压:
0.166mmHg at 25°C
存储条件/存储方法:

保存方法:密闭,阴凉,通风干燥处

稳定性相关:

避氧化物、水分、碱

其它信息:

1.      性状:黄色或无色的液体

2.      密度(g/mL20ºC):1.5

3.      相对蒸汽密度(g/mL,空气=1)未确定

4.      熔点(ºC):未确定

5.      沸点(ºC,常压):168-169

6.      沸点(ºC3mmHg):未确定

7.      折射率:n20/D1.463

8.      闪点(º F):188

9.      比旋光度(º):未确定

10.   自燃点或引燃温度(ºC):86

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:与水发生反应

安全信息展开↓

包装等级:
II
风险类别:
8
海关代码:
2916399090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R34
安全说明:
S23-S26-S36/37/39-S45
安全标志:
S23:不要吸入蒸汽。
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:
危险标志:
C: Corrosive;

毒理性展开↓

生态数据:

1、其它有害作用:通常对水是稍微危害的,若无政府许可,勿将材料排入周围环境。

MSDS 展开↓

  Revision number: 5
  5-Fluoro-2-(trifluoromethyl)benzoyl Chloride
  SAFETY DATA SHEET

Section 1. IDENTIFICATION
    5-Fluoro-2-(trifluoromethyl)benzoyl Chloride
  Product name:
    

    5
  Revision number:

Section 2. HAZARDS IDENTIFICATION
  GHS classification
  PHYSICAL HAZARDS
    Category 4
  Flammable liquids
    Category 1
  Corrosive to metals
  HEALTH HAZARDS
    Category 1B
  Skin corrosion/irritation
    Category 1
  Serious eye damage/eye irritation
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements, including precautionary statements
  Pictograms or hazard symbols
    Danger
  Signal word
    Combustible liquid
  Hazard statements
    May be corrosive to metals
    Causes severe skin burns and eye damage
  Precautionary statements:
    Keep away from flames and hot surfaces.
  [Prevention]
    Keep only in original container.
    Do not breathe dust/fume/gas/mist/vapours/spray.
    Wash hands thoroughly after handling.
    Wear protective gloves and eye/face protection.
    IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for
  [Response]
    breathing.
    IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
    IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
    if present and easy to do. Continue rinsing.
    IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse
    skin with water/shower.
    Wash contaminated clothing before reuse.
    Immediately call a POISON CENTER or doctor/physician.
    Absorb spillage to prevent material damage.
    Store in a well-ventilated place. Keep cool.
  [Storage]
    Store locked up.

Section 2. HAZARDS IDENTIFICATION
    Dispose of contents/container through a waste management company authorized by
  [Disposal]
    the local government.

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
    Substance
  Substance/mixture:
    5-Fluoro-2-(trifluoromethyl)benzoyl Chloride
  Components:
    >98.0%(GC)(T)
  Percent:
    216144-70-6
  CAS Number:
    α,α,α,5-Tetrafluoro-o-toluoyl Chloride
  Synonyms:
    C8H3ClF4O
  Chemical Formula:

Section 4. FIRST AID MEASURES
    Remove victim to fresh air and keep at rest in a position comfortable for breathing.
  Inhalation:
    Immediately call a POISON CENTER or doctor/physician.
    Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
  Skin contact:
    soap and water. Immediately call a POISON CENTER or doctor/physician.
    Rinse cautiously with water for several minutes. Remove contact lenses, if present
  Eye contact:
    and easy to do. Continue rinsing.Immediately call a POISON CENTER or
    doctor/physician.
    Immediately call a POISON CENTER or doctor/physician. Rinse mouth. Do NOT
  Ingestion:
    induce vomiting.
    A rescuer should wear personal protective equipment, such as rubber gloves and air-
  Protection of first-aiders:
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
    Dry chemical, carbon dioxide.
  Suitable extinguishing
  media:
  Unsuitable extinguishing Water
  media:
  Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to
    generate poisonous fume.
  from the chemical:
  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.
    When extinguishing fire, be sure to wear personal protective equipment.
  Special protective
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
    Use extra personal protective equipment (self-contained breathing apparatus). Keep
  Personal precautions,
  protective equipment and people away from and upwind of spill/leak. Ensure adequate ventilation. Entry to non-
  emergency procedures: involved personnel should be controlled around the leakage area by roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust).
  containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected
  up: material should be promptly disposed of, in accordance with appropriate laws and
    regulations.
  Prevention of secondary Do not allow contact with water. Remove all sources of ignition. Fire-extinguishing
    devices should be prepared in case of a fire. Use spark-proof tools and explosion-
  hazards:
    proof equipment.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling

Section 7. HANDLING AND STORAGE
    Handling is performed in a well ventilated place. Wear suitable protective equipment.
  Technical measures:
    Prevent generation of vapour or mist. Keep away from flames and hot surfaces. Take
    measures to prevent the build up of electrostatic charge. Use explosion-proof
    equipment. Wash hands and face thoroughly after handling.
    Use a closed system, ventilation.
  Advice on safe handling: Avoid contact with skin, eyes and clothing.
    May develop pressure. Open carefully.
    Use corrosive resistant equipment.
  Conditions for safe storage, including any
  incompatibilities
    Keep container tightly closed. Store in a cool, dark and well-ventilated place.
  Storage conditions:
    Store under inert gas.
    Protect from moisture.
    Store locked up.
    Store away from incompatible materials such as oxidizing agents.
    Moisture-sensitive
    Comply with laws. Keep only in original container.
  Packaging material:

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
    Install a closed system or local exhaust. Also install safety shower and eye bath.
  Engineering controls:
  Personal protective equipment
  Respiratory protection: Half or full facepiece respirator, self-contained breathing apparatus(SCBA), supplied
    air respirator, etc. Use respirators approved under appropriate government standards
    and follow local and national regulations.
    Impervious gloves.
  Hand protection:
    Safety goggles. A face-shield, if the situation requires.
  Eye protection:
  Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
    Liquid
  Physical state (20°C):
    Clear
  Form:
    Colorless - Slightly pale yellow
  Colour:
    No data available
  Odour:
  pH: No data available
  Melting point/freezing point:No data available
    169°C
  Boiling point/range:
    87°C
  Flash point:
  Flammability or explosive
  limits:
    No data available
  Lower:
    No data available
  Upper:
    1.50
  Relative density:
  Solubility(ies):
    No data available
  [Water]
    No data available
  [Other solvents]

Section 10. STABILITY AND REACTIVITY
    Stable under proper conditions.
  Chemical stability:
  Possibility of hazardous Decomposes in contact with water and liberates toxic gases.
  reactions:
    Open flame, Moisture
  Conditions to avoid:
  Incompatible materials: Oxidizing agents, Bases, Water
  Hazardous decomposition Carbon monoxide, Carbon dioxide, Hydrogen fluoride, Hydrogen chloride
  products:

Section 11. TOXICOLOGICAL INFORMATION
    No data available
  Acute Toxicity:

Section 11. TOXICOLOGICAL INFORMATION
  Skin corrosion/irritation: No data available
    No data available
  Serious eye
  damage/irritation:
    No data available
  Germ cell mutagenicity:
  Carcinogenicity:
    No data available
  IARC =
    No data available
  NTP =
    No data available
  Reproductive toxicity:

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
    No data available
  Fish:
    No data available
  Crustacea:
    No data available
  Algae:
  Persistence / degradability: No data available
    No data available
  Bioaccumulative
  potential(BCF):
  Mobility in soil
    No data available
  Log Pow:
    No data available
  Soil adsorption (Koc):
    No data available
  Henry's Law
  constant(PaM3/mol):

Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical
    incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when
    disposing of the substance.

Section 14. TRANSPORT INFORMATION
    8: Corrosive.
  Hazards Class:
    3265
  UN-No:
    Corrosive liquid, acidic, organic, n.o.s.
  Proper shipping name:
    II
  Packing group:

Section 15. 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

海关数据查看详细

中国海关编码:2916399090

概述:
2916399090 其他芳香一元羧酸. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 丙烯酸、丙烯酸盐或酯应报明包装
摘要/Summary:
2916399090 other aromatic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

分子结构与计算化学数据展开↓

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:5

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17.1

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

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