2,6-双(三氟甲基)-4-羟基喹啉

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学

2,6-双(三氟甲基)-4-羟基喹啉 基本信息

中文名称:
2,6-双(三氟甲基)-4-羟基喹啉 
中文别名:
2,6-双(三氟甲基)-4-羟基喹啉;
2,6-双三氟甲基-4-羟基喹啉 
英文名称:
4-Quinolinol,2,6-bis(trifluoromethyl)-
英文别名:
2,6-bis(trifluoromethyl)-1H-quinolin-4-one;
2,6-Bis(trifluoromethyl)quinolin-4-ol 
CAS No.:
35877-04-4
分 子 式:
C11H5F6NO
分 子 量:
281.16
精确分子量:
281.02800
PSA:
33.12000
InChI:
InChI=1/C7H3ClF3NO/c8-6(13)4-1-2-5(12-3-4)7(9,10)11/h1-3H
分子结构式:
SDS:
查看

2,6-双(三氟甲基)-4-羟基喹啉 物化性质

密度:
1.469g/cm3
熔点:
280-290°C
沸点:
220.2ºC at 760 mmHg
闪点:
87ºC
折射率:
1.467
存储条件/存储方法:

密封、阴凉、干燥、通风保存

稳定性相关:

常规情况下不会分解,没有危险反应

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):未确定

5.       沸点(ºC,常压): 未确定

6.       沸点(ºC,5mm hg):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(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:未确定

2,6-双(三氟甲基)-4-羟基喹啉 安全信息

海关代码:
2933499090
危险类别码:
R36/37/38
安全说明:
S26-S36-S37/39
危险标志:
Xi: Irritant;

2,6-双(三氟甲基)-4-羟基喹啉 毒理性

生态数据:

对水是稍微有危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

2,6-双(三氟甲基)-4-羟基喹啉 MSDS

Name: 2 6-Di(trifluoromethyl)quinolin-4-ol 97% Material Safety Data Sheet
Synonym: 2,6-Bis(trifluoromethyl)-4-quinolino
CAS: 35877-04-4
Section 1 - Chemical Product   MSDS Name:2 6-Di(trifluoromethyl)quinolin-4-ol 97% Material Safety Data Sheet
Synonym:2,6-Bis(trifluoromethyl)-4-quinolino

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
35877-04-4 2,6-Di(trifluoromethyl)quinolin-4-ol 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# 35877-04-4: 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: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 280 - 290 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: C11H5F6NO
Molecular Weight: 281

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

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 35877-04-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,6-Di(trifluoromethyl)quinolin-4-ol - 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# 35877-04-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 35877-04-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 35877-04-4 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

2,6-双(三氟甲基)-4-羟基喹啉 海关数据

中国海关编码:2933499090

概述:
2933499090. 其他含喹琳或异喹啉环系的化合物〔但未进一步稠合的〕. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素:
品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期
摘要/Summary:
2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2,6-双(三氟甲基)-4-羟基喹啉 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):3.3

2.氢键供体数量:1

3.氢键受体数量:8

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29.1

7.重原子数量:19

8.表面电荷:0

9.复杂度:410

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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