519-66-4 (4-羟基-1-甲基-3-苯基-1,2-二氢喹啉-2-酮,2(1H)-Quinolinone,4-hydroxy-1-methyl-3-phenyl-)

快速询单

结构式：

4-羟基-1-甲基-3-苯基-1,2-二氢喹啉-2-酮MOL文件

CAS号：

519-66-4

中文名称：

4-羟基-1-甲基-3-苯基-1,2-二氢喹啉-2-酮

英文名称：

2(1H)-Quinolinone,4-hydroxy-1-methyl-3-phenyl-

分子式：

C₁₆H₁₃NO₂

分子量：

251.279924154282

4-羟基-1-甲基-3-苯基-1,2-二氢喹啉-2-酮(519-66-4)名称与标识符

名称

中文别名：

4-羟基-1-甲基-3-苯基-1,2-二氢喹啉-2-酮;

英文别名：

2(1H)-Quinolinone,4-hydroxy-1-methyl-3-phenyl-;4-HYDROXY-1-METHYL-3-PHENYL-1,2-DIHYDROQUINOLIN-2-ONE;4-HYDROXY-1-METHYL-3-PHENYL-1H-QUINOLIN-2-ONE;4-hydroxy-1-methyl-3-phenylquinolin-2-one;'NCGC00160205-01!N-methyl-2,4-Dihydroxy-3-phenylquinoline';4-hydroxy-1-methyl-3-phenyl-quinolin-2-one;BTB 11565;AKOS005022140;EU-0032406;NSC-675808;MFCD00204485;BRD-K29393680-001-08-1;NSC675808;SR-01000589273-1;SMR000312003;NCI60_026751;Maybridge1_002197;DTXSID40715681;AB00598941-06;4-hydroxy-1-methyl-3-phenylquinolin-2(1H)-one;CCG-103843;FT-0618616;519-66-4;HMS547L19;HMS2611L10;Oprea1_422676;4-Hydroxy-1-methyl-3-phenyl-2(1H)-quinolinone;SR-01000589273;CHEMBL1410733;NCGC00160205-01;MLS000682646;

标识符

InChIKey：

CLKIYIWKKBDFBS-UHFFFAOYSA-N

Inchi：

1S/C16H13NO2/c1-17-13-10-6-5-9-12(13)15(18)14(16(17)19)11-7-3-2-4-8-11/h2-10,18H,1H3

SMILES：

OC1=C(C2C=CC=CC=2)C(N(C)C2C=CC=CC=21)=O

4-羟基-1-甲基-3-苯基-1,2-二氢喹啉-2-酮(519-66-4)物化性质

实验特性

LogP : 2.91110
PSA : 42.23000
折射率 : 1.669
沸点 : 404.5 °C at 760 mmHg
熔点 : 225-226°C
闪点 : 198.4 °C
密度 : 1.293

计算特性

精确分子量 : 251.09500
氢键供体数量 : 1
氢键受体数量 : 3
可旋转化学键数量 : 1
同位素质量 : 251.094629
重原子数量 : 19
复杂度 : 396
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） : 2.5
拓扑分子极性表面积 : 40.5

4-羟基-1-甲基-3-苯基-1,2-二氢喹啉-2-酮(519-66-4)安全信息

4-羟基-1-甲基-3-苯基-1,2-二氢喹啉-2-酮(519-66-4)海关数据

海关编码：

2933790090

海关数据：

中国海关编码：

2933790090

概述：

2933790090 其他内酰胺. 增值税率:17.0% 退税率:9.0% 监管条件:无最惠国关税:9.0% 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：

2933790090. other lactams. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:9.0%. General tariff:20.0%

4-羟基-1-甲基-3-苯基-1,2-二氢喹啉-2-酮(519-66-4)相关文献

1. H2Ti6O13, a new protonated titanate prepared by Li+/H+ ion exchange: synthesis, crystal structure and electrochemical Li insertion properties
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4-羟基-1-甲基-3-苯基-1,2-二氢喹啉-2-酮(519-66-4) MSDS

基础信息

Name:	4-Hydroxy-1-methyl-3-phenyl-1 2-dihydroquinolin-2-one 97% Material Safety Data Sheet
Synonym:
CAS:	519-66-4

Section 1 - Chemical Product ? MSDS Name:4-Hydroxy-1-methyl-3-phenyl-1 2-dihydroquinolin-2-one 97% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
519-66-4	4-Hydroxy-1-methyl-3-phenyl-1,2-dihydr	97%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause 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.
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:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 519-66-4: 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: pale yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 225 - 226 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: C16H13NO2
Molecular Weight: 251

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 519-66-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
4-Hydroxy-1-methyl-3-phenyl-1,2-dihydroquinolin-2-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: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 519-66-4: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 519-66-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 519-66-4 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A