1613-37-2 (喹啉-N-氧化物,Quinoline-1-oxide)

快速询单

结构式：

喹啉-N-氧化物MOL文件

CAS号：

1613-37-2

中文名称：

喹啉-N-氧化物

英文名称：

Quinoline-1-oxide

分子式：

C₉H₇NO

分子量：

145.157982110977

喹啉-N-氧化物(1613-37-2)名称与标识符

名称

中文别名：

喹啉-N-氧化物;喹啉 N-氧化物水合物;喹啉-N-氧化物水合物;喹啉氮氧化物;

英文别名：

Quinoline-N-oxide;QUINOLINE 1-OXIDE;Quinoline-N-oxide hydrate;1-oxidoquinolin-1-ium;Quinoline N-Oxide Hydrate;QuinolineN-oxide;Quinoline oxide;Quinoline N-oxide;QUINOLINE, 1-OXIDE;quinolin-1-ium-1-olate;quinolinyl-N-oxide;Quinoline-1-oxide;1-oxido-quinolin-1-ium;QNHO01;1-oxidanidylquinolin-1-ium;Quinoline, 1-oxide, dihydrate;GIIWGCBLYNDKBO-UHFFFAOYSA-N;SBB058323;FCH;

标识符

MDL：

MFCD00006737

InChIKey：

GIIWGCBLYNDKBO-UHFFFAOYSA-N

Inchi：

1S/C9H7NO/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H

SMILES：

[O-][N+]1C=CC=C2C=CC=CC=12

喹啉-N-氧化物(1613-37-2)物化性质

实验特性

LogP : 2.26830
PSA : 25.46000
沸点 : 172°C/4mmHg(lit.)
熔点 : 47.0 to 51.0 deg-C
颜色与性状 : 未确定。
溶解性 : 未确定
最大波长(λmax) : 335(CHCl3)(lit.)

计算特性

精确分子量 : 145.05300
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 0
重原子数量 : 11
复杂度 : 138
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） : 0.4
互变异构体数量 : 无
表面电荷 : 0
拓扑分子极性表面积 : 25.5

喹啉-N-氧化物(1613-37-2)安全信息

RTECS号： VC2335000
安全术语： S24/25
安全说明： S24/25

喹啉-N-氧化物(1613-37-2)国际标准相关数据

EINECS：

4333

喹啉-N-氧化物(1613-37-2)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%

喹啉-N-氧化物(1613-37-2)推荐厂家更多厂家(25)

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上海源叶生物科技有限公司	15026964105 15026964105	汤思磊	2881489226	询单
湖北方德新材料有限公司	18086096695	邱经理	1462312301	询单
上海瀚思化工有限公司	18939883912 021-34536277	顾经理	3003949364	询单
上海腾准生物科技有限公司	19821570922 021-34053661	张经理	3003871136	询单
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上海一基实业有限公司	13311756131 021-60548336 QQ：2355265332 QQ:2851717387	胡经理	2355265332	询单
赫澎（上海）生物科技有限公司	13122891558 186-16545970	张硕	3418426269	询单
赫澎（上海）生物科技有限公司	13122891558 186-16545970	张硕	3418426269	询单
金锦乐（湖南）化学有限公司		金锦乐	1226360695	询单

喹啉-N-氧化物(1613-37-2)上下游

喹啉-2-甲腈苯基异喹啉 2-乙氧基-8-甲氧基喹啉 Acetamide,N-2-quinolinyl- 2-羟基喹啉 4-乙炔喹啉过氧三氟乙酸苯喹啉过氧化氢苯甲酰

喹啉-N-氧化物(1613-37-2)相关文献

1. Heteroaromatic reactivity. Part IV. The kinetics of nitration of cinnoline 2-oxide and quinoline 1-oxide in sulphuric acid. The mechanism of nitration of N-heteroaromatic oxides, with special reference to 2,6-lutidine 1-oxide
J. T. Gleghorn,R. B. Moodie,E. A. Qureshi,K. Schofield J. Chem. Soc. B 1968 316
2. Transition-metal-free synthesis of 3-(1-pyrrolidinyl)quinolines and 3-(1-pyrrolidinyl)quinoline 1-oxides via a one-pot reaction of 3-(1-pyrrolidinyl)crotonates with nitrobenzenes
Robert Bujok,Piotr Cmoch,Zbigniew Wróbel,Krzysztof Wojciechowski Org. Biomol. Chem. 2017 15 2397
3. Direct synthesis of 8-acylated quinoline N-oxides via palladium-catalyzed selective C–H activation and C(sp2)–C(sp2) cleavage
Guang-Hui Li,Dao-Qing Dong,Xian-Yong Yu,Zu-Li Wang New J. Chem. 2019 43 1667
4. A fluorine-19 nuclear magnetic resonance spectral study of some titanium tetrafluoride diadducts
C. E. Michelson,Daniel S. Dyer,Ronald O. Ragsdale J. Chem. Soc. A 1970 2296
5. Insights into the mechanistic and synthetic aspects of the Mo/P-catalyzed oxidation of N-heterocycles
Oleg V. Larionov,David Stephens,Adelphe M. Mfuh,Hadi D. Arman,Anastasia S. Naumova,Gabriel Chavez,Behije Skenderi Org. Biomol. Chem. 2014 12 3026
6. The β-alkylation of pyridine and quinoline 1-oxides with acetylenes: studies of the mechanism
Rudolph A. Abramovitch,Ichiro Shinkai J. Chem. Soc. Chem. Commun. 1973 569
7. Nickel-promoted C(2)–H amidation of quinoline N-oxides with N-fluorobenzenesulfonimide
Shuaijun Han,Xianying Gao,Qingsong Wu,Jingya Li,Dapeng Zou,Yusheng Wu,Yangjie Wu Org. Chem. Front. 2019 6 830
8. Heterocyclic polyfluoro-compounds. Part XXIII. Reaction of some 2-, 3-, and 4-substituted pyridine 1-oxides, 5-methylpyrimidine 1-oxide, and quinoline 1-oxide with perfluoropropene, and of pyridine 1-oxide with perfluoro-(2-methylpent-2-ene): synthesis of 2-(1,2,2,2-tetrafluoroethyl)-pyridines or -pyrimidines and their N-oxides and of 2,2,3-trifluoro-2,3-dihydro-3-trifluoromethylfuro[3,2-b]pyridine
Ronald E. Banks,Robert N. Haszeldine,John M. Robinson J. Chem. Soc. Perkin Trans. 1 1976 1226
9. Photochemistry of methoxy-substituted quinoline and isoquinoline N-oxides
Angelo Albini,Elisa Fasani,Lucia Maggi Dacrema J. Chem. Soc. Perkin Trans. 1 1980 2738
10. Photorearrangement of quinoline 1-oxides: relevance of ground and excited state basicity and effect of heavy atom quenchers
Gian Gaetano Aloisi,Gianna Favaro J. Chem. Soc. Perkin Trans. 2 1976 456

喹啉-N-氧化物(1613-37-2)参考资料

Reaxys RN：

113802

Beilstein：

Q189042

喹啉-N-氧化物(1613-37-2) MSDS

基础信息

Name:	Quinoline-n-oxide hydrate Material Safety Data Sheet
Synonym:
CAS:	1613-37-2

Section 1 - Chemical Product ? MSDS Name:Quinoline-n-oxide hydrate Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
1613-37-2	Quinoline-N-oxide hydrate		216-560-6

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

Section 3 - HAZARDS IDENTIFICATION
? EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.Hygroscopic (absorbs moisture from the air).
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
No information found.
Inhalation:
May cause 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:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. Get medical aid if cough or other symptoms appear.
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.
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.
Exposure Limits CAS# 1613-37-2: Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear a chemical apron.
Respirators:
A NIOSH/MSHA approved air purifying dust or mist respirator or European Standard EN 149.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
?
Physical State: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 52 - 55 deg C
Autoignition Temperature: Not available.
Flash Point: > 112 deg C (> 233.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C9H7NO.xH2O
Molecular Weight: 145.16

Section 10 - STABILITY AND REACTIVITY
? Chemical Stability:
Not available.
Conditions to Avoid:
Exposure to moist air or water.
Incompatibilities with Other Materials:
Strong oxidizing agents - moisture.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
? RTECS#:
CAS# 1613-37-2: VC2340000 LD50/LC50:
Not available.
Carcinogenicity:
Quinoline-N-oxide hydrate - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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# 1613-37-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 1613-37-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 1613-37-2 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A