59108-13-3 (5,7-二氯-4-羟基-2-(三氯甲基)喹啉,5,7-Dichloro-4-hydroxy-2-(trifluoromethyl)quinoline)

快速询单

结构式：

5,7-二氯-4-羟基-2-(三氯甲基)喹啉MOL文件

CAS号：

59108-13-3

中文名称：

5,7-二氯-4-羟基-2-(三氯甲基)喹啉

英文名称：

5,7-Dichloro-4-hydroxy-2-(trifluoromethyl)quinoline

分子式：

C₁₀H₄Cl₂F₃NO

分子量：

282.046071052551

5,7-二氯-4-羟基-2-(三氯甲基)喹啉(59108-13-3)名称与标识符

名称

中文别名：

5,7-二氯-4-羟基-2-(三氟甲基)喹啉;2-三氟甲基-4-羟基-5,7-二氯喹啉;2-三氟甲基-4-羟基-8-甲氧基喹啉;5,5',6,6'-四羟基-3,3,3',3'-四甲基-1,1'-螺旋联吲哚;5,7-二氯-4-羟基-2-(三氯甲基)喹啉;5,7-二氯-2-(三氟甲基)-4-喹啉醇;

英文别名：

5,7-Dichloro-4-hydroxy-2-(trifluoromethyl)quinoline;5,7-Dichloro-4-hydroxy-2-(trifluoromethyl)-quinoline;4-Quinolinol,5,7-dichloro-2-(trifluoromethyl)-;5,7-dichloro-2-(trifluoromethyl)-1H-quinolin-4-one;5,7-DICHLORO-2-(TRIFLUOROMETHYL)QUINOLIN-4-OL;Maybridge1_004819;PubChem6016;KSC497A1P;HMS555D01;EBD3270;PC2477;VQ10248;SY005931;KM 07464;D;SB71518;AKOS005904381;MFCD00173851;A832158;59108-13-3;AKOS015850161;AC-7369;AS-9156;CCG-246502;CS-W002471;FT-0619842;DTXSID30371639;UPYWRJPYAKQWLV-UHFFFAOYSA-N;DB-015213;

标识符

MDL：

MFCD00173851

InChIKey：

UPYWRJPYAKQWLV-UHFFFAOYSA-N

Inchi：

1S/C10H4Cl2F3NO/c11-4-1-5(12)9-6(2-4)16-8(3-7(9)17)10(13,14)15/h1-3H,(H,16,17)

SMILES：

ClC1=CC(=CC2=C1C(C=C(C(F)(F)F)N2)=O)Cl

5,7-二氯-4-羟基-2-(三氯甲基)喹啉(59108-13-3)物化性质

实验特性

LogP : 4.26600
PSA : 33.12000
折射率 : 1.584
沸点 : 296.3℃ at 760 mmHg
熔点 : 230°C (dec.)
闪点 : 95.9℃
溶解度 : 几乎不溶 (0.034 g/L) (25 ºC),
颜色与性状 : 未确定
密度 : 1.633±0.06 g/cm3 (20 ºC 760 Torr),

计算特性

精确分子量 : 280.96200
氢键供体数量 : 1
氢键受体数量 : 5
可旋转化学键数量 : 0
同位素质量 : 280.962
重原子数量 : 17
复杂度 : 369
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） : 3.7
互变异构体数量 : 3
表面电荷 : 0
拓扑分子极性表面积 : 29.1

5,7-二氯-4-羟基-2-(三氯甲基)喹啉(59108-13-3)安全信息

5,7-二氯-4-羟基-2-(三氯甲基)喹啉(59108-13-3)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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5,7-二氯-4-羟基-2-(三氯甲基)喹啉(59108-13-3)上下游

三氟乙酰乙酸乙酯 3,5-二氯苯胺

5,7-二氯-4-羟基-2-(三氯甲基)喹啉(59108-13-3) MSDS

基础信息

Name:	5 7-Dichloro-2-(trifluoromethyl)quinolin-4-ol 97% Material Safety Data Sheet
Synonym:	5,7-Dichloro-4-hydroxy-2-(trifluoromethyl)quinolin
CAS:	59108-13-3

Section 1 - Chemical Product ? MSDS Name:5 7-Dichloro-2-(trifluoromethyl)quinolin-4-ol 97% Material Safety Data Sheet
Synonym:5,7-Dichloro-4-hydroxy-2-(trifluoromethyl)quinolin

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
59108-13-3	5,7-Dichloro-2-(trifluoromethyl)quinol	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# 59108-13-3: 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: 230 deg C(decom)
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: C10H4Cl2F3NO
Molecular Weight: 282

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

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 59108-13-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5,7-Dichloro-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# 59108-13-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 59108-13-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 59108-13-3 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A