1423-63-8

• 常用中文名：1-(5-溴-1-苯并噻吩-3-基)乙酮
• 常用英文名：1-(5-BROMOBENZO[B]THIOPHEN-3-YL)ETHANONE
• CAS号：1423-63-8
• 分子式：C₁₀H₇BrOS
• 分子量：255.13100
• 发布时间：2018-12-21 10:30:52
• 更新时间：2024-01-16 14:35:04

名称

• 中文名: 1-(5-溴-1-苯并噻吩-3-基)乙酮
• 英文名: 1-(5-bromo-1-benzothiophen-3-yl)ethanone
• 中文别名: 3-乙酰基-5-溴苯并噻吩
• 英文别名: 3-Acetyl-5-brom-benzo<b>thiophen; 3-acetyl-5-bromo-benzothiophene; MFCD06411546

物化性质

• 密度: 1.587g/cm3
• 沸点: 359.7ºC at 760 mmHg
• 熔点: 112-113ºC
• 分子式: C₁₀H₇BrOS
• 分子量: 255.13100
• 闪点: 171.3ºC
• 精确质量: 253.94000
• PSA: 45.31000
• LogP: 3.86640
• 蒸汽压: 2.34E-05mmHg at 25°C
• 折射率: 1.672
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:2

  4.可旋转化学键数量:1

  5.互变异构体数量:2

  6.拓扑分子极性表面积45.3

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:219

  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）：112~113

MSDS

Name: 1-(5-Bromo-1-benzothien-3-yl)ethanone Material Safety Data Sheet Synonym: CAS: 1423-63-8 Section 1 - Chemical Product MSDS Name:1-(5-Bromo-1-benzothien-3-yl)ethanone Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 1423-63-8 1-(5-Bromo-1-benzothien-3-yl)ethanone 97+% unlisted Hazard Symbols: XN Risk Phrases: 20/21/22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful by inhalation, in contact with skin and if swallowed. Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: May cause eye irritation. Skin: Causes skin irritation. Harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. Inhalation: Harmful if inhaled. Causes 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. Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Get medical aid immediately. Skin: Get medical aid. Get medical aid immediately. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Ingestion: Do not induce vomiting. Get medical aid. Get medical aid immediately. Wash mouth out with water. Inhalation: Get medical aid immediately. 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 foam, dry chemical, or carbon dioxide. 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. Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood. 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# 1423-63-8: 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: Off White Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 112 - 113 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: C10H7BrOS Molecular Weight: 255.13 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Stable under normal temperatures and pressures. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, bases, amines, halogens. Hazardous Decomposition Products: Carbon monoxide, oxides of sulfur, carbon dioxide, hydrogen bromide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 1423-63-8 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-(5-Bromo-1-benzothien-3-yl)ethanone - 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 Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2811 Packing Group: III IMO Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing Group: III RID/ADR Shipping Name: TOXIC SOLID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2811 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 20/21/22 Harmful by inhalation, in contact with skin and if swallowed. R 36/37/38 Irritating to eyes, respiratory system and skin. Safety Phrases: S 22 Do not breathe dust. S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 Wear suitable protective clothing, gloves and eye/face protection. WGK (Water Danger/Protection) CAS# 1423-63-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 1423-63-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1423-63-8 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 海关编码: 2934999090

合成路线

4923-87-9 75-36-5 ~89% 1423-63-8

文献：Mitsumori, Susumu; Tsuri, Tatsuo; Honma, Tsunetoshi; Hiramatsu, Yoshiharu; Okada, Toshihiko; Hashizume, Hiroshi; Inagaki, Masanao; Arimura, Akinori; Yasui, Kiyoshi; Asanuma, Fujio; Kishino, Junji; Ohtani, Mitsuaki Journal of Medicinal Chemistry, 2003 , vol. 46, # 12 p. 2446 - 2455

118780-12-4 ~% 1423-63-8

文献：Journal of Medicinal Chemistry, , vol. 46, # 12 p. 2446 - 2455

106-53-6 ~% 1423-63-8

文献：Journal of Medicinal Chemistry, , vol. 46, # 12 p. 2446 - 2455

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4923-87-9 75-36-5 118780-12-4 106-53-6
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海关

海关编码	2934999090
中文概述	2934999090. 其他杂环化合物. 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
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%