2,4'-二氟二苯甲酮

  • 基本信息
  • 制备方法及用途
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 表征图谱

2,4'-二氟二苯甲酮 基本信息

中文名称:
2,4'-二氟二苯甲酮 
中文别名:
2,4'-二氟二苯甲酮;
2,4-二氟二苯甲酮;
2,4'-二氟苯甲酮 
英文名称:
2,4'-Difluorobenzophenone
英文别名:
(2-fluorophenyl)-(4-fluorophenyl)methanone;
2-fluoro-4'-fluorobenzophenone;
2,4'-Difluorobenzophenone;
2,3-DIFLUOROBENZYLSULFONYL CHLORIDE;
di2-fluorophenyl ketone;
2,4'-Difluor-benzophenon;
2',4-difluorobenzophenone;
fr bvr df;
2,4'-difluorobenzophenol;
(2-Fluorophenyl)(4-fluorophenyl)methanone;
2,4-Difluorobenzophenone 
CAS No.:
342-25-6
分 子 式:
C13H8F2O
分 子 量:
218.20
精确分子量:
218.05400
PSA:
17.07000
MDL:
MFCD00000319
EINECS:
206-441-7
BRN:
3268520
InChI:
InChI=1/C11H9FN2OS/c12-8-3-1-7(2-4-8)9-6-16-11(14-9)5-10(13)15/h1-4,6H,5H2,(H2,13,15)
危险品标志:
风险术语:
R36/37/38   
安全术语:
S24/25
分子结构式:
SDS:
查看

2,4'-二氟二苯甲酮 制备方法及用途

制备方法

其制备方法是将氟苯和无水三氯化铝置于反应釜中,在低温下滴加2-氟苯甲酰氯,同时搅拌,滴加完后升温至回流,继续反应3h,冷却到室温,滴加HCl,控制pH=3~4,分层,油层干燥、蒸馏得2,4-二氟二苯酮。

合成制备方法

其制备方法是将氟苯和无水三氯化铝置于反应釜中,在低温下滴加2-氟苯甲酰氯,同时搅拌,滴加完后升温至回流,继续反应3h,冷却到室温,滴加HCl,控制pH=3~4,分层,油层干燥、蒸馏得2,4-二氟二苯酮。

用途简介

吡虫啉、啶虫脒等农药中间体。

用途

用作农药粉唑醇的中间体

2,4'-二氟二苯甲酮 物化性质

外观与性状:
无色透明液体
密度:
1.244 g/mL at 25 °C(lit.)
熔点:
22-24 °C(lit.)
沸点:
176-178 °C16 mm Hg(lit.)
闪点:
>230 °F
折射率:
n20/D 1.5689(lit.)
其它信息:

一、物性数据

性状:不可用

密度(g/mL,25/4): 1.244

相对蒸汽密度(g/mL,空气=1)不可用

熔点(ºC):22-24

沸点(ºC,常压):176-178

沸点(ºC,5.2kPa): 不可用

折射率: 1.5679-1.5699

闪点(ºC): 不可用

比旋光度(º): 不可用

自燃点或引燃温度(ºC): 不可用

蒸气压(kPa,25ºC): 不可用

饱和蒸气压(kPa,60ºC): 不可用

燃烧热(KJ/mol):不可用

临界温度(ºC): 不可用

临界压力(KPa): 不可用

油水(辛醇/水)分配系数的对数值:不可用 

爆炸上限(%,V/V):不可用

爆炸下限(%,V/V): 不可用

溶解性不溶于水,溶于苯、二甲苯、酮等有机溶剂

2,4'-二氟二苯甲酮 安全信息

海关代码:
2914700090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R36/37/38
安全说明:
S26-S37/39-S24/25
安全标志:
:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
危险标志:
Xi:Irritant;

2,4'-二氟二苯甲酮 毒理性

毒理学数据:

二、毒理学数据:

急性毒性:不可用 。

生态数据:

三、生态学数据:

1、其它有害作用:该物质对环境可能有危害,对水体应给予特别注意。

2,4'-二氟二苯甲酮 MSDS

Name: 2 4 -Difluorobenzophenone 98% Material Safety Data Sheet
Synonym: None known
CAS: 342-25-6
Section 1 - Chemical Product   MSDS Name:2 4 -Difluorobenzophenone 98% Material Safety Data Sheet
Synonym:None known

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
342-25-6 2,4'-Difluorobenzophenone 98 206-441-7
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Cool containers with flooding quantities of water until well after fire is out. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Avoid runoff into storm sewers and ditches which lead to waterways.
Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Absorb spill using an absorbent, non-combustible material such as earth, sand, or vermiculite. Do not use combustible materials such as sawdust.
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. Keep container tightly closed. Keep away from heat, sparks and flame. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. 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# 342-25-6: 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:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Color: clear light yellow
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 176 - 178 deg C @ 16.00mm Hg
Freezing/Melting Point: 22.00 - 24.00 deg C
Autoignition Temperature: Not available.
Flash Point: > 112 deg C (> 233.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.2440g/cm3
Molecular Formula: C13H8F2O
Molecular Weight: 218.20

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 342-25-6 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,4'-Difluorobenzophenone - 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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 342-25-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 342-25-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 342-25-6 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

2,4'-二氟二苯甲酮 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%

2,4'-二氟二苯甲酮 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:56.03

2、   摩尔体积(m3/mol):175.9

3、   等张比容(90.2K):441.1

4、   表面张力(dyne/cm):39.5

5、   极化率10-24cm3):22.21

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:3

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17.1

7.重原子数量:16

8.表面电荷:0

9.复杂度:246

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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