2,3,5-三氟苯酚

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

2,3,5-三氟苯酚 基本信息

中文名称:
2,3,5-三氟苯酚 
中文别名:
2,3,5-三氟苯酚;
2,6-Dichlorofluorobenzene;
3,5-Difluoro-4-chlorophenol;
3,5-Difluoronitrobenzene;
Acetycholine iodide;
b-Methyl-DL-phenylalanine;
b-Methylphenylalanine;
b-Phenyl-a-aminobutyric acid;
Phenylalanine, b-methyl-;
2-Phenylethyl isothiocyanate;
2-Chloro-5-Fluoro Benzoic Acid;
trifluoromethylbenzoyl chloride;
3-trifluoromethylbenzoyl chloride;
3-(trifluoromethyl)benzoyl chloride;
5-[4-(trifluoromethyl)phenyl]-2H-tetrazole;
3-(Trifluoromethyl)- 
英文名称:
Phenol,2,3,5-trifluoro-
英文别名:
2,3,5-TRIFLUOROPHENOL;
2,3,5-Trifluor-phenol;
2 3 5-TRIFLUOROPHENOL;
2,3,4,6-TETRA-O-BENZYL-A-D-GLUCOPYRANOSYL FLUORIDE 
CAS No.:
2268-15-7
分 子 式:
C6H3F3O
分 子 量:
148.09
精确分子量:
148.01400
PSA:
20.23000
InChI:
The Key: JNZQXSIWHRRMNO-UHFFFAOYSA-N
危险品标志:
Xn,Xi
风险术语:
R10-20/21/22-36/37/38
安全术语:
S16-26-27-36/37/39
分子结构式:
SDS:
查看

2,3,5-三氟苯酚 物化性质

外观与性状:
透明淡黄色液体在熔点后
密度:
1.457 g/mL at 25 °C(lit.)
熔点:
29 °C(lit.)
沸点:
57 °C29 mm Hg(lit.)
闪点:
130 °F
折射率:
n20/D 1.462(lit.)
存储条件/存储方法:

保持容器密封,放入紧密的出藏器内,储存在阴凉,干燥的地方

稳定性相关:

避免氧化物,强碱,空气水分接触

其它信息:

1.     性状:浅黄色透明液体

2.     密度(g/L,25ºC):1.4573.     相对蒸汽密度(g/mL,空气=1):未确定4.     熔点(ºC):295.     沸点(ºC,常压):未确定6.     沸点(ºC29mmHg):577.     折射率nD20):1.4628.     闪点(ºF)1309.     比旋光度():未确定10.  自燃点或引燃温度(ºC):未确定11.  蒸气压(Pa,25ºC):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

2,3,5-三氟苯酚 安全信息

包装等级:
III
风险类别:
4.1
海关代码:
29081000
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R10;R20/21/22;R36/37/38
安全说明:
S16-S26-S27-S36/37/39
危险标志:
Xn: Harmful;

2,3,5-三氟苯酚 毒理性

生态数据:

对水是稍微有害的,不要让未稀释或大量的产品接触地下水,水道或者污水系统,若无政府许可,勿将材料排入周围环境

2,3,5-三氟苯酚 MSDS

Name: 2 3 5-Trifluorophenol 98% Material Safety Data Sheet
Synonym:
CAS: 2268-15-7
Section 1 - Chemical Product   MSDS Name:2 3 5-Trifluorophenol 98% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
2268-15-7 2,3,5-Trifluorophenol 98% unlisted
Hazard Symbols: XN
Risk Phrases: 10 20/21/22 36/37/38

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Flammable. Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin.Hygroscopic (absorbs moisture from the air).
Potential Health Effects
Eye:
Causes eye irritation. Contact may cause severe eye irritation and possible eye damage.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
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:

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. Will burn if involved in a fire. Flammable solid.
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. Remove all sources of ignition. Use a spark-proof tool.

Section 7 - HANDLING and STORAGE
  Handling:
Use spark-proof tools and explosion proof equipment. Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Keep away from sources of ignition. Store in a cool, dry place.
Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 2268-15-7: 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: Clear liquid
Color: light yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 57 deg C @ 29.00mm
Freezing/Melting Point: 29 deg C
Autoignition Temperature: Not available.
Flash Point: 54 deg C ( 129.20 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.4570g/cm3
Molecular Formula: F3C6H2OH
Molecular Weight: 148.09

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials, ignition sources, exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 2268-15-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,3,5-Trifluorophenol - 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
Shipping Name: FLAMMABLE LIQUID, N.O.S.*
Hazard Class: 3
UN Number: 1993
Packing Group: III
IMO
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3.3
UN Number: 1993
Packing Group: III
RID/ADR
Shipping Name: FLAMMABLE LIQUID, N.O.S.
Hazard Class: 3
UN Number: 1993
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 10 Flammable.
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 16 Keep away from sources of ignition - No
smoking.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 2268-15-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 2268-15-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 2268-15-7 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

2,3,5-三氟苯酚 分子结构与计算化学数据

分子结构数据

1、  摩尔折射率:28.11

2、  摩尔体积m3/mol):100.4

3、  等张比容(90.2K):243.6

4、  表面张力dyne/cm):34.5

5  极化率10-24cm3):11.14

计算化学数据

1.疏水参数计算参考值(XlogP):1.9

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:0

5.互变异构体数量:3

6.拓扑分子极性表面积20.2

7.重原子数量:10

8.表面电荷:0

9.复杂度:120

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

2,3,5-三氟苯酚 上游产品

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