6-溴-7-硝基喹喔啉 - CAS号 113269-09-3

物化性质

熔点：

221-227 °C
沸点：

356.3±37.0 °C(Predicted)
密度：

1.8688 (rough estimate)
稳定性/保质期：

遵照规定使用和储存，则不会分解。

计算性质

辛醇/水分配系数(LogP)：

1.7
重原子数：

14
可旋转键数：

0
环数：

2.0
sp3杂化的碳原子比例：

0.0
拓扑面积：

71.6
氢给体数：

0
氢受体数：

4

安全信息

安全说明：

S24/25
危险性防范说明：

P264,P280,P302+P352,P337+P313,P305+P351+P338,P362+P364,P332+P313
危险性描述：

H315,H319

SDS

SDS：b83ccc339e0f9b5341d66143a43fdd49

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Name:	6-Bromo-7-Nitroquinoxaline 95% Material Safety Data Sheet
Synonym:	None
CAS:	113269-09-3

Section 1 - Chemical Product MSDS Name:6-Bromo-7-Nitroquinoxaline 95% Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
113269-09-3	6-Bromo-7-Nitroquinoxaline	95	unlisted

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

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Light sensitive.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or 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:

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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Store protected from light.
Storage:
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Store protected from light.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 113269-09-3: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: beige
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 221.00 - 223.00 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C8H4BrN3O2
Molecular Weight: 254.04

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, light, dust generation, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, bromine fumes, bromine.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 113269-09-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
6-Bromo-7-Nitroquinoxaline - 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
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.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 113269-09-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 113269-09-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 113269-09-3 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

作为反应物：

描述：

6-溴-7-硝基喹喔啉在四(三苯基膦)钯 sodium hydroxide 、乙醇、 sodium carbonate 作用下，以甲醇、甲苯为溶剂，反应 14.0h，生成 quinoxalino[6,7-c]cinnoline 6-oxide

参考文献：

名称：

通过2-氨基-2'-硝基联芳基的碱催化缩合反应，可以合成多种3,4-稠合的cinnolines。

摘要：

苯并[c] cinnolines，噻吩并[3,2-c] cinnolines，吡啶基[3,2-c] cinnolines和先前未描述的喹喔啉[6,7-c] cinnoline环系可通过短合成路线方便地制备，包括铃木偶联，碱催化的环化和脱氧。串联硼酸化-Suzuki偶联的使用进一步扩展了该方法的范围，以包括高度取代的苯并[c]肉桂酚。

DOI：

10.1039/b618318b
作为产物：

描述：

4-溴邻苯二胺在吡啶、硫酸、硝酸、溶剂黄146 作用下，以乙醇、水为溶剂，反应 20.5h，生成 6-溴-7-硝基喹喔啉

参考文献：

名称：

[EN] FUSED TRICYCLIC COMPOUNDS AS RIP1-KINASE INHIBITORS AND USES THEREOF
[FR] COMPOSÉS TRICYCLIQUES FUSIONNÉS EN TANT QU'INHIBITEURS DE RIP1-KINASE ET LEURS UTILISATIONS

摘要：

以下的I式化合物作为RIP1激酶抑制剂及其使用。

公开号：

WO2022171110A1

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文献信息

Vinylic MIDA Boronates: New Building Blocks for the Synthesis of Aza-Heterocycles

作者：Sabin Llona-Minguez、Matthieu Desroses、Artin Ghassemian、Sylvain A. Jacques、Lars Eriksson、Rebecka Isacksson、Tobias Koolmeister、Pål Stenmark、Martin Scobie、Thomas Helleday

DOI：10.1002/chem.201406549

日期：2015.5.11

A two‐step synthesis of structurally diverse pyrrole‐containing bicyclic systems is reported. ortho‐Nitro‐haloarenes coupled with vinylic N‐methyliminodiacetic acid (MIDA) boronates generate ortho‐vinyl‐nitroarenes, which undergo a “metal‐free” nitrene insertion, resulting in a new pyrrole ring. This novel synthetic approach has a wide substrate tolerance and it is applicable in the preparation of

报道了结构多样的含吡咯的双环体系的两步合成。邻硝基硝基卤代芳烃与乙烯基N甲基亚氨基二乙酸（MIDA）硼酸酯结合生成邻乙烯基乙烯基硝基芳烃，该芳基经过“无金属”腈插入，从而形成新的吡咯环。这种新颖的合成方法具有广泛的底物耐受性，可用于制备更复杂的“类药物”分子。有趣的是，邻硝基硝基芳烃衍生物具有环状β-氨基膦酸酯基序。
A Direct Method for Oxidizing Quinoxaline, Tetraazaphenanthrene, and Hexaazatriphenylene Moieties Using Hypervalent λ<sup>3</sup>-Iodinane Compounds

作者：Ludovic Troian-Gautier、Julien De Winter、Pascal Gerbaux、Cécile Moucheron

DOI：10.1021/jo401872e

日期：2013.11.1

An efficient oxidation reaction of various electron-poor quinoxaline-core-containing compounds, such as quinoxalines, 1,4,5,8-tetraazaphenanthrenes, and 1,4,5,8,9,12-hexaazatriphenylene, using [bis(trifluoroacetoxy)iodo]benzene is reported. These compounds are converted into the corresponding quinoxalinediones in good to high yields at room temperature using an acetonitrile/water solvent mixture. This

各种含贫电子的喹喔啉核心化合物，例如喹喔啉，1,4,5,8-四氮杂菲和1,4,5,8,9,12-六氮杂苯并菲的有效氧化反应，使用[双（三氟乙酰氧基）碘]苯的报道。使用乙腈/水溶剂混合物，可以在室温下将这些化合物以高收率或高收率转化为相应的喹喔啉二酮。这种空前的反应应能够合成可用于多个化学领域的多种化合物。
6-0 substituted ketolides having antibacterial activity

申请人：ABBOTT LABORATORIES

公开号：EP1291350A1

公开（公告）日：2003-03-12

Antimicrobial compounds having the formula (IV-A) as well as pharmaceutically acceptable salts, esters or prodrugs thereof; pharmaceutical compositions comprising such compounds; methods of treating bacterial infections by the administration of such compounds; and processes for the preparation of the compounds.

具有式（IV-A）的抗菌化合物及其药学上可接受的盐、酯或原药；包含此类化合物的药物组合物；通过施用此类化合物治疗细菌感染的方法；以及制备此类化合物的工艺。
The Four 6-Halo-7-nitroquinoxalines

作者：Raymonde Nasielski-Hinkens、Pierre Lev尋ue、Daniel Castelet、Jacques Nasielski

DOI：10.3987/r-1987-09-2433

日期：——
Nitrophenyl Derivatives as Aldose Reductase Inhibitors

作者：Luca Costantino、Anna Maria Ferrari、Maria Cristina Gamberini、Giulio Rastelli

DOI：10.1016/s0968-0896(02)00318-8

日期：2002.12

Nitrophenyl derivatives ere recently discovered as a new class of ALR2 inhibitors by means of docking and database screening of the National Cancer Institute database of organic molecules. The nitro group was predicted to bind to the Tyr48 and His110 active site residues of the enzyme. the site adhere acidic ALR2 inhibitors such as carboxylic acids bind in their anionic form. Given the novelty of these Compounds. we decided to expand their structure-activity relationships by synthesizing and testing a series of derivatives and the corresponding compounds having a carboxylic group instead of the nitro moiety: the results obtained were rationalized by means of docking and molecular dynamics simulations. On the whole there is an agreement between inhibitory data and the results of molecular modeling experiments. supporting the hypothesized binding mode of these compounds. (C) 2002 Elsevier Science Ltd. All rights reserved.

6-溴-7-硝基喹喔啉 | 113269-09-3

分子结构分类

物化性质

计算性质

安全信息

SDS

反应信息

文献信息

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