3,5-二氟-2-羟基苯乙酮

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品

3,5-二氟-2-羟基苯乙酮 基本信息

中文名称:
3,5-二氟-2-羟基苯乙酮 
中文别名:
3,5-二氟-2-羟基苯乙酮;
1-(3,5-二氟-2-羟基苯基)-1-乙酮;
1-(3,5-二氟-2-羟苯基)乙酮;
3',5'-二氟-2'-羟基苯乙酮 
英文名称:
Ethanone,1-(3,5-difluoro-2-hydroxyphenyl)-
英文别名:
3',5'-Difluoro-2'-hydroxyacetophenone;
1-(3,5-Difluoro-2-hydroxyphenyl)ethanone;
1-(3,5-difluoro-2-hydroxyphenyl)ethanone;
3′,5′-Difluoro-2′-hydroxyacetophenone 
CAS No.:
140675-42-9
分 子 式:
C8H6F2O2
分 子 量:
172.13
精确分子量:
172.03400
PSA:
37.30000
InChI:
The Key: MCDJUVXLLXTCFP-UHFFFAOYSA-N
风险术语:
R36/37/38
安全术语:
S26S36/S37/S39
分子结构式:
SDS:
查看

3,5-二氟-2-羟基苯乙酮 物化性质

密度:
1.346g/cm3
熔点:
53-55°C
沸点:
220.8ºC at 760mmHg
闪点:
87.3ºC
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):53-55

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

3,5-二氟-2-羟基苯乙酮 安全信息

海关代码:
2914700090
危险类别码:
R36/37/38
安全说明:
S26-S36/37/39
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

3,5-二氟-2-羟基苯乙酮 MSDS

Name: 1-(3 5-Difluoro-2-hydroxyphenyl)ethan-1-one 97% Material Safety Data Sheet
Synonym: 3,5-Difluoro-2-hydroxyacetophenon
CAS: 140675-42-9
Section 1 - Chemical Product   MSDS Name:1-(3 5-Difluoro-2-hydroxyphenyl)ethan-1-one 97% Material Safety Data Sheet
Synonym:3,5-Difluoro-2-hydroxyacetophenon

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
140675-42-9 1-(3,5-Difluoro-2-hydroxyphenyl)ethan- 97% unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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.
Ingestion:
Get medical aid. Wash mouth out with 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.
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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
  Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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# 140675-42-9: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Color: tan
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 108 - 110 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H6F2O2
Molecular Weight: 172

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents, bases.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen fluoride gas, fluorine.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 140675-42-9 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-(3,5-Difluoro-2-hydroxyphenyl)ethan-1-one - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

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 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 140675-42-9: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 140675-42-9 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 140675-42-9 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

3,5-二氟-2-羟基苯乙酮 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%

3,5-二氟-2-羟基苯乙酮 分子结构与计算化学数据

分子结构数据

1、摩尔折射率:38.15

2、摩尔体积(cm3/mol):127.8

3、等张比容(90.2K):321.7

4、表面张力(dyne/cm):40.1

5、介电常数:无可用的

6、极化率(10-24cm3):15.12

7、单一同位素质量:172.033586 Da

8、标称质量:172 Da

9、平均质量:172.1288 Da

计算化学数据

1.疏水参数计算参考值(XlogP):2

2.氢键供体数量:1

3.氢键受体数量:4

4.可旋转化学键数量:1

5.互变异构体数量:7

6.拓扑分子极性表面积37.3

7.重原子数量:12

8.表面电荷:0

9.复杂度:184

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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