1198-14-7

• 常用中文名：5-溴-8-羟基喹啉
• 常用英文名：5-Bromo-8-quinolinol
• CAS号：1198-14-7
• 分子式：C₉H₆BrNO
• 分子量：224.054
• 相关类别： 医药中间体 杂环化合物 喹啉类化合物
• 发布时间：2018-05-31 08:00:00
• 更新时间：2024-01-04 19:22:07

名称

• 中文名: 5-溴-8-羟基喹啉
• 英文名: 5-Bromoquinolin-8-ol
• 英文别名: 5-bromoquinolin-8-ol; 5-Bromo-8-quinolinol; 5-Bromo-8-hydroxyquinoline; EINECS 214-829-2; 8-Quinolinol, 5-bromo-

物化性质

• 密度: 1.7±0.1 g/cm3
• 沸点: 362.7±22.0 °C at 760 mmHg
• 熔点: 127ºC
• 分子式: C₉H₆BrNO
• 分子量: 224.054
• 闪点: 173.2±22.3 °C
• 精确质量: 222.963272
• PSA: 33.12000
• LogP: 3.08
• 外观性状: 固体;White to Orange to Green powder to crystal
• 蒸汽压: 0.0±0.8 mmHg at 25°C
• 折射率: 1.718
• 储存条件: 室温， 惰性气体
• 分子结构:

  1、 摩尔折射率：51.75

  2、 摩尔体积（cm³/mol）：131.3

  3、 等张比容（90.2K）：370.7

  4、 表面张力（dyne/cm）：63.4

  5、 极化率（10-24cm3）：20.51

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:2

  4.可旋转化学键数量:0

  5.互变异构体数量:2

  6.拓扑分子极性表面积33.1

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:165

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  1.熔点（ºC）：127

MSDS

5-Bromo-8-hydroxyquinoline SAFETY DATA SHEET Section1. IDENTIFICATION OF THE SUBSTANCE OR MIXTURE AND OF THE SUPPLIER Product name:5-Bromo-8-hydroxyquinoline Section2. HAZARDS IDENTIFICATION Classification of the GHS PHYSICAL HAZARDSNot classified HEALTH HAZARDS Category 2 Skin corrosion/irritation Serious eye damage/eye irritationCategory 2A Not classified ENVIRONMENTAL HAZARDS GHS label elements Pictograms or hazard symbols Signal wordWarning Hazard statementCauses skin irritation Causes serious eye irritation Precautionary statements [Prevention]Wash hands thoroughly after handling. Wear protective gloves/eye protection/face protection. [Response]IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. IF ON SKIN: Gently wash with plenty of soap and water. If skin irritation occurs: Get medical advice/attention. Take off contaminated clothing and wash before reuse. Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Component(s):5-Bromo-8-hydroxyquinoline Percent:>96.0%(GC) CAS Number:1198-14-7 Synonyms:5-Bromo-8-quinolinol Chemical Formula:C9H6BrNO Section4. FIRST AID MEASURES Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing. Get medical advice/attention if you feel unwell. 5-Bromo-8-hydroxyquinoline Section4. FIRST AID MEASURES Skin contact:Remove/Take off immediately all contaminated clothing. Gently wash with plenty of soap and water. If skin irritation or rash occurs: Get medical advice/attention. Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. Ingestion:Get medical advice/attention if you feel unwell. Rinse mouth. A rescuer should wear personal protective equipment, such as rubber gloves and air- Protection of first-aiders: tight goggles. Section5. FIRE-FIGHTING MEASURES Suitable extinguishingDry chemical, foam, water spray, carbon dioxide. media: Specific hazards:Take care as it may decompose upon combustion or in high temperatures to generate poisonous fume. Specific methods:Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Remove movable containers if safe to do so. Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Personal precautions,Use personal protective equipment. Keep people away from and upwind of spill/leak. protective equipment and Entry to non-involved personnel should be controlled around the leakage area by emergency procedures: roping off, etc. Environmental precautions: Prevent product from entering drains. Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it. containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with up: appropriate laws and regulations. Section7. HANDLING AND STORAGE Handling Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment. Prevent dispersion of dust. Wash hands and face thoroughly after handling. Use a local exhaust if dust or aerosol will be generated. Advice on safe handling:Avoid contact with skin, eyes and clothing. Storage Keep container tightly closed. Store in a cool and dark place. Storage conditions: Store away from incompatible materials such as oxidizing agents. Packaging material:Law is followed. Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Engineering controls:Install a closed system or local exhaust as possible so that workers should not be exposed directly. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Dust respirator. Follow local and national regulations. Hand protection:Protective gloves. Eye protection:Safety glasses. A face-shield, if the situation requires. Skin and body protection: Protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Solid Form:crystal - powder Color:White - Pale yellow Odor:No data available pH: No data available 5-Bromo-8-hydroxyquinoline Section9. PHYSICAL AND CHEMICAL PROPERTIES Melting point/freezing point:127 °C Boiling Point/Range:No data available Flash Point:No data available Explosive limits Lower:No data available No data available Upper: Density:No data available No data available Solubility: Section10. STABILITY AND REACTIVITY Stability:Stable under proper conditions. Reactivity:No special reactivity has been reported. Incompartible materials: oxidizing agents Hazardous Decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx), Hydrogen bromide Products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:No data available Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: IARC =No data available No data available NTP = Reproductive toxicity:No data available VC4582000 RTECS Number: Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available Crustacea:No data available Algae:No data available Persistence / degradability: No data available BioaccumulativeNo data available potential(BCF): Mobillity in soil log Pow:No data available Soil adsorption (Koc):No data available Henry's LawNo data available constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section14. TRANSPORT INFORMATION Hazards Class:Does not correspond to the classification standard of the United Nations UN-No:Not Listed Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. 5-Bromo-8-hydroxyquinoline SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : VC4582000 CHEMICAL NAME : 8-Quinolinol, 5-bromo- CAS REGISTRY NUMBER : 1198-14-7 BEILSTEIN REFERENCE NO. : 0129563 LAST UPDATED : 199612 DATA ITEMS CITED : 1 MOLECULAR FORMULA : C9-H6-Br-N-O MOLECULAR WEIGHT : 224.07 HEALTH HAZARD DATA ACUTE TOXICITY DATA MUTATION DATA TYPE OF TEST : Mutation in microorganisms TEST SYSTEM : Bacteria - Bacillus subtilis DOSE/DURATION : 10 mmol/L REFERENCE : FAVUAI Fiziologicheski Aktivnye Veshchestva. Physiologically Active Substances. (Izdatel'stvo Naukova Dumka, Kiev, USSR) No.1- 1966- Volume(issue)/page/year: 6,118,1974

安全

• 危害码 (欧洲): Xi
• RTECS号: VC4582000
• 海关编码: 2933499090

合成路线

148-24-3 ~97% 1198-14-7

文献：Borikar, Sanjay P.; Daniel, Thomas; Paul, Vincent Synthetic Communications, 2010 , vol. 40, # 5 p. 647 - 653

13207-66-4 ~% 1198-14-7

文献：Journal fuer Praktische Chemie (Leipzig), , vol. <2> 44, p. 439,442

40925-68-6 56-81-5 ~% 1198-14-7

文献：Journal fuer Praktische Chemie (Leipzig), , vol. <2> 44, p. 439,442

上下游产品

上游产品  4
148-24-3 13207-66-4 40925-68-6 56-81-5
下游产品  8
202259-06-1 89-00-9 130-16-5 10522-47-1
37171-61-2 675880-72-5 84165-42-4 596135-26-1

海关

海关编码	2933499090
中文概述	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%