605-62-9

• 常用中文名：4-硝基-1-萘酚
• 常用英文名：4-Nitro-1-naphthol
• CAS号：605-62-9
• 分子式：C₁₀H₇NO₃
• 分子量：189.167
• 相关类别： 化学试剂 有机试剂 酚类
• 发布时间：2018-03-13 08:00:00
• 更新时间：2024-01-03 14:23:28
• KAT8-IN-1是一种赖氨酸(K)乙酰转移酶8(KAT8)抑制剂,其IC50分别为141μM(KAT9)、221μM(KAT2B)和106μM(KAT3B)。KAT8抑制组蛋白乙酰转移酶(HATs),并可能导致疾病状态,如癌症或炎症性疾病[1]。

名称

• 中文名: 4-硝基-1-萘酚
• 英文名: 4-Nitro-1-naphthol
• 中文别名: 1-羟基-4-硝基萘
• 英文别名: 4-nitronaphthalen-1-ol; 1-Naphthalenol, 4-nitro-; MFCD02179392; 4-Nitro-1-naphthol

物化性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 398.8±25.0 °C at 760 mmHg
• 熔点: 165-168°C
• 分子式: C₁₀H₇NO₃
• 分子量: 189.167
• 闪点: 179.8±11.6 °C
• 精确质量: 189.042587
• PSA: 66.05000
• LogP: 2.80
• 蒸汽压: 0.0±1.0 mmHg at 25°C
• 折射率: 1.714
• 储存条件:

  贮存：

  将密器密封，储存密封的主藏器内，并放在阴凉， 干爽的位置。

• 稳定性:

  性质与稳定性：

  常温常压下，或不分解产物。

• 分子结构:

  五、分子性质数据：

  1、 摩尔折射率：52.52

  2、 摩尔体积（m³/mol）：133.8

  3、 等张比容（90.2K）：381.6

  4、 表面张力（dyne/cm）：66.1

  5、 极化率（10 ^-24cm ³）：20.82

• 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:3

  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66

  7.重原子数量:14

  8.表面电荷:0

  9.复杂度:226

  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

生物活性

• 描述: KAT8-IN-1是一种赖氨酸(K)乙酰转移酶8(KAT8)抑制剂,其IC50分别为141μM(KAT9)、221μM(KAT2B)和106μM(KAT3B)。KAT8抑制组蛋白乙酰转移酶(HATs),并可能导致疾病状态,如癌症或炎症性疾病[1]。
• 相关类别:
  研究领域 >> 癌症
  信号通路 >> 其他 >> 其他
  研究领域 >> 炎症/免疫
• 靶点:

  IC50: 141 μM (KAT8), 221 μM (KAT2B), 106 μM (KAT3B)[1]

• 体外研究: KAT8-IN-1(化合物19)失去抗氧化活性(EC50>1mM)[1]。
• 参考文献:

  [1]. Wapenaar H, et al. The relevance of Ki calculation for bi-substrate enzymes illustrated by kinetic evaluation of a novel lysine (K) acetyltransferase 8 inhibitor. Eur J Med Chem. 2017 Aug 18;136:480-486.

MSDS

4-Nitro-1-naphthol Revision number: 5 SAFETY DATA SHEET Section1. IDENTIFICATION Product name:4-Nitro-1-naphthol Revision number:5 Section2. HAZARDS IDENTIFICATION GHS classification PHYSICAL HAZARDSNot classified HEALTH HAZARDS Skin corrosion/irritationCategory 2 Category 2A Serious eye damage/eye irritation ENVIRONMENTAL HAZARDSNot classified GHS label elements, including precautionary statements Pictograms or hazard symbols Signal wordWarning Hazard statementsCauses skin irritation Causes serious eye irritation Precautionary statements: Wash hands thoroughly after handling. [Prevention] Wear protective gloves/eye protection/face protection. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, [Response] 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 Components:4-Nitro-1-naphthol Percent:>98.0%(T) CAS Number:605-62-9 Synonyms:1-Hydroxy-4-nitronaphthalene C10H7NO3 Chemical Formula: 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. 4-Nitro-1-naphthol 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 arising Take care as it may decompose upon combustion or in high temperatures to from the chemical:generate poisonous fume. Precautions for firefighters: 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 Precautions for safe 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. Conditions for safe storage, including any incompatibilities Storage conditions:Keep container tightly closed. Store in a cool and dark place. Store under inert gas. Store away from incompatible materials such as oxidizing agents. Air-sensitive Packaging material:Comply with laws. 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. Safety glasses. A face-shield, if the situation requires. Eye protection: Skin and body protection: Protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Solid Crystal- Powder Form: 4-Nitro-1-naphthol Section9. PHYSICAL AND CHEMICAL PROPERTIES Colour:Pale yellow - Yellow Odour:No data available pH: No data available Melting point/freezing point:167°C Boiling point/range:No data available Flash point:No data available Flammability or explosive limits: Lower:No data available Upper:No data available Relative density:No data available Solubility(ies): [Water]No data available [Other solvents]No data available Section10. STABILITY AND REACTIVITY Stable under proper conditions. Chemical stability: Possibility of hazardous No special reactivity has been reported. reactions: Incompatible materials: Oxidizing agents Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx) 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 NTP =No data available Reproductive toxicity:No data available Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available No data available Crustacea: Algae:No data available Persistence / degradability: No data available BioaccumulativeNo data available potential(BCF): Mobility in soil Log Pow:No data available Soil adsorption (Koc):No data available No data available Henry's Law 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 4-Nitro-1-naphthol Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002 and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 三、生态学数据： 1、其它有害作用：该物质对环境可能有危害，对水体应给予特别注意。

安全

• 危害码 (欧洲): Xi
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): S26-S36/37/39
• 危险品运输编码: 2811
• 海关编码: 2908999090

合成路线

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海关

海关编码	2908999090
中文概述	2908999090 其他酚及酚醇的卤化等衍生物（包括其磺化、硝化或亚硝化衍生物）. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2908999090 halogenated, sulphonated, nitrated or nitrosated derivatives of phenols or phenol-alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%