41933-33-9

• 常用中文名：2-苄基-4,5-二氯哒嗪-3-酮
• 常用英文名：2-Benzyl-4,5-dichloropyridazine-3(2H)-one
• CAS号：41933-33-9
• 分子式：C₁₁H₈Cl₂N₂O
• 分子量：255.10000
• 相关类别： 医药中间体 杂环化合物 哒嗪类化合物
• 发布时间：2018-11-28 17:34:43
• 更新时间：2024-01-20 19:09:49
• EcDsbB-IN-9(化合物9)是一种有效的大肠杆菌DsbB(EcDsbB)抑制剂,IC50为1.7μM,Ki为46 nM[1]。

名称

• 中文名: 4,5-二氯-2-苄基-3(2H)-哒嗪
• 英文名: 2-Benzyl-4,5-dichloropyridazin-3(2H)-one
• 中文别名: 2-苄基-4,5-二氯哒嗪-3(2H)-酮; 2-苄基-4,5-二氯哒嗪-3-酮; 2-苄基-4,5-二氯-2,3-二氢吡嗪-3-酮
• 英文别名: 2-benzyl-4,5-dichloropyridazin-3-one

物化性质

• 密度: 1.38g/cm3
• 沸点: 338ºC at 760 mmHg
• 熔点: 87ºC
• 分子式: C₁₁H₈Cl₂N₂O
• 分子量: 255.10000
• 闪点: 158.2ºC
• 精确质量: 254.00100
• PSA: 34.89000
• LogP: 2.59840
• 折射率: 1.626
• 储存条件: 室温，干燥

生物活性

• 描述: EcDsbB-IN-9(化合物9)是一种有效的大肠杆菌DsbB(EcDsbB)抑制剂,IC50为1.7μM,Ki为46 nM[1]。
• 相关类别:
  研究领域 >> 感染
  信号通路 >> 其他 >> 其他
• 靶点:

  IC50: 1.7 μM (EcDsbB)[1] Ki: 46 nM (EcDsbB)[1]

• 体外研究: EcDsbB-IN-9(化合物9)(0-100μM)导致还原的DsbA(EcDsbB底物)积聚,并以8.5±0.6μM的IC50抑制DsbA的氧化[1]。

MSDS

Name: 2-Benzyl-4 5-dichloro-2 3-dihydropyridazin-3-one 97% Material Safety Data Sheet Synonym: 2-Benzyl-4,5-dichloropyridazine-3(2H)-on CAS: 41933-33-9 Section 1 - Chemical Product MSDS Name:2-Benzyl-4 5-dichloro-2 3-dihydropyridazin-3-one 97% Material Safety Data Sheet Synonym:2-Benzyl-4,5-dichloropyridazine-3(2H)-on Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 41933-33-9 2-Benzyl-4,5-dichloro-2,3-dihydropyrid 97% unlisted Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes 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. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. 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: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 41933-33-9: 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: orange Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 87 - 89 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: C11H8Cl2N2O Molecular Weight: 255 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 41933-33-9 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-Benzyl-4,5-dichloro-2,3-dihydropyridazin-3-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: XI Risk Phrases: R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 Wear suitable gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 41933-33-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 41933-33-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 41933-33-9 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xi:Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S37/39
• 海关编码: 2933990090

合成路线

932-22-9 100-39-0 ~95% 41933-33-9

文献：Ewing, William R.; Zhu, Yeheng; Ellsworth, Bruce A. Patent: US2006/287323 A1, 2006 ; Location in patent: Page/Page column 12 ; US 20060287323 A1

932-22-9 100-44-7 ~92% 41933-33-9

文献：Cho, Su-Dong; Kweon, Deok-Heon; Kang, Young-Jin; Chung, Hyun-A.; Yoon, Yong-Jin Journal of Heterocyclic Chemistry, 1998 , vol. 35, # 3 p. 601 - 605

上下游产品

上游产品  3
932-22-9 100-39-0 100-44-7
下游产品  4
77541-65-2 825633-93-0 825634-03-5 40890-47-9

海关

海关编码	2933990090
中文概述	2933990090. 其他仅含氮杂原子的杂环化合物. 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	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%