31009-31-1 (8-氟-4-羟基-2-(三氟甲基)喹啉,8-Fluoro-2-(trifluoromethyl)quinolin-4-ol)

CAS号:
31009-31-1
中文名称:
8-氟-4-羟基-2-(三氟甲基)喹啉
英文名称:
8-Fluoro-2-(trifluoromethyl)quinolin-4-ol
分子式:
C10H5F4NO
分子量:
231.146416425705
相关分类:

8-氟-4-羟基-2-(三氟甲基)喹啉(31009-31-1)名称与标识符

名称

中文别名:
8-氟-4-羟基-2-(三氟甲基)喹啉;8-氟-4-羟基-2-三氟甲基喹啉;2-三氟甲基-4-羟基-6-氯喹啉;2-三氟甲基-4-羟基-8-氟喹啉;
英文别名:
8-Fluoro-2-(trifluoromethyl)quinolin-4-ol;8-Fluoro-4-hydroxy-2-(trifluoromethyl)quinoline;8-fluoro-2-(trifluoromethyl)-1H-quinolin-4-one;8-Fluor-2-trifluormethylchinolin-4-ol;8-luoro-2-(triluoromethyl)-1H-quinolin-4-one;SB69133;587885-86-7;8-fluoro-4-hydroxy-2-trifluoromethylquinoline;8-Fluoro-2-(trifluoromethyl)quinolin-4(1H)-one;SY005924;CHEBI:184016;SB69508;J-519433;AS-31272;MFCD00276580;8-fluoro-4-hydroxy-2-(trifluoromethyl)quinoline, AldrichCPR;Maybridge1_005054;HMS555N16;4-Quinolinol, 8-fluoro-2-(trifluoromethyl)-;DTXSID50371999;31009-31-1;AKOS015853381;AC-7362;CS-W014686;SCHEMBL2709776;A820689;AKOS009159359;FT-0621534;DB-047950;

标识符

MDL:
MFCD00276580
InChIKey:
UQFKMXKVHWMPPC-UHFFFAOYSA-N
Inchi:
1S/C10H5F4NO/c11-6-3-1-2-5-7(16)4-8(10(12,13)14)15-9(5)6/h1-4H,(H,15,16)
SMILES:
FC1=CC=CC2C(C=C(C(F)(F)F)NC=21)=O

8-氟-4-羟基-2-(三氟甲基)喹啉(31009-31-1)物化性质

实验特性

  • LogP : 3.09830
  • PSA : 33.12000
  • 折射率 : 1.5
  • 沸点 : 220℃/760mmHg
  • 熔点 : 111 °C
  • 闪点 : 86.8℃
  • 颜色与性状 : 粉末
  • 溶解性 : 未确定
  • 密度 : 1.468

计算特性

  • 精确分子量 : 231.03100
  • 氢键供体数量 : 1
  • 氢键受体数量 : 2
  • 可旋转化学键数量 : 1
  • 同位素质量 : 231.031
  • 重原子数量 : 16
  • 复杂度 : 336
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 2.6
  • 互变异构体数量 : 3
  • 表面电荷 : 0
  • 拓扑分子极性表面积 : 29.1A^2

8-氟-4-羟基-2-(三氟甲基)喹啉(31009-31-1)海关数据

海关编码:
2933499090
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

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%

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8-氟-4-羟基-2-(三氟甲基)喹啉(31009-31-1)上下游

8-氟-4-羟基-2-(三氟甲基)喹啉(31009-31-1) MSDS

基础信息

Name:8-Fluoro-2-(trifluoromethyl)quinolin-4-ol 97% Material Safety Data Sheet
Synonym:8-Fluoro-4-hydroxy-2-(trifluoromethyl)quinolin
CAS:31009-31-1
Section 1 - Chemical Product ? MSDS Name:8-Fluoro-2-(trifluoromethyl)quinolin-4-ol 97% Material Safety Data Sheet
Synonym:8-Fluoro-4-hydroxy-2-(trifluoromethyl)quinolin

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS#Chemical NamecontentEINECS#
31009-31-18-Fluoro-2-(trifluoromethyl)quinolin-497%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# 31009-31-1: 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: 110 - 115 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: C10H5F4NO
Molecular Weight: 231

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Reducing agents, strong oxidizing 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# 31009-31-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
8-Fluoro-2-(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# 31009-31-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 31009-31-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 31009-31-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A