59214-70-9

• 常用中文名：3-溴-1-苯并呋喃
• 常用英文名：3-Bromobenzofuran
• CAS号：59214-70-9
• 分子式：C₈H₅BrO
• 分子量：197.029
• 发布时间：2018-04-06 08:00:00
• 更新时间：2024-01-04 15:11:22
• 下载msds

名称

• 中文名: 3-溴-1-苯并呋喃
• 英文名: 3-bromo-1-benzofuran
• 英文别名: 3-bromanyl-1-benzofuran; 3-bromobenzo<furan; Benzofuran, 3-bromo-; benzofuran,3-bromo; 3-Bromobenzo<b>furane; bromo-3 benzofuranne; 3-Bromo-1-benzofuran; 3-Brombenzofuran

物化性质

• 密度: 1.6±0.1 g/cm3
• 沸点: 233.8±13.0 °C at 760 mmHg
• 熔点: 35ºC
• 分子式: C₈H₅BrO
• 分子量: 197.029
• 闪点: 95.2±19.8 °C
• 精确质量: 195.952377
• PSA: 13.14000
• LogP: 3.44
• 蒸汽压: 0.1±0.4 mmHg at 25°C
• 折射率: 1.639
• 储存条件: -20°C，惰性气体
• 分子结构:

  1、 摩尔折射率：44.08

  2、 摩尔体积（cm³/mol）：122.5

  3、 等张比容（90.2K）：315.5

  4、 表面张力（dyne/cm）：44.0

  5、 极化率（10-24cm3）：17.47

• 计算化学:

  1.疏水参数计算参考值（XlogP）:3

  2.氢键供体数量:0

  3.氢键受体数量:1

  4.可旋转化学键数量:0

  5.互变异构体数量:无

  6.拓扑分子极性表面积13.1

  7.重原子数量:10

  8.表面电荷:0

  9.复杂度:126

  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）：35

  2.沸点（ºC）：110

MSDS

Name: 3-Bromo-1-benzofuran Material Safety Data Sheet Synonym: None know CAS: 59214-70-9 Section 1 - Chemical Product MSDS Name:3-Bromo-1-benzofuran Material Safety Data Sheet Synonym:None know Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 59214-70-9 3-Bromo-1-benzofuran 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: Causes 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: 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. Ingestion: 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. 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. Avoid generating dusty conditions. Section 7 - HANDLING and STORAGE Handling: Use with adequate ventilation. Minimize dust generation and accumulation. 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# 59214-70-9: 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: White Odor: Without to slight pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 110 deg C @20mm Hg Freezing/Melting Point: 36 - 38 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: C8H5BrO Molecular Weight: 197.03 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. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, hydrogen bromide, bromine. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 59214-70-9 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-Bromo-1-benzofuran - 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: Not regulated. Hazard Class: UN Number: Packing Group: IMO Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: RID/ADR Shipping Name: Not regulated. Hazard Class: UN Number: Packing group: 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 23 Do not inhale gas/fumes/vapour/spray. 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# 59214-70-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 59214-70-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 59214-70-9 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
• 海关编码: 2932999099

合成路线

109210-15-3 ~92% 59214-70-9

文献：Kehler, Jan; Juhl, Karsten; Norgaard, Morten Bang Patent: US2006/287386 A1, 2006 ; Location in patent: Page/Page column 17 ;

64150-61-4 ~83% 59214-70-9

文献：Benincori, Tiziana; Brenna, Elisabetta; Sannicolo, Franco; Trimarco, Licia; Antognazza, Patrizia; et al. Journal of Organic Chemistry, 1996 , vol. 61, # 18 p. 6244 - 6251

58863-52-8 ~% 59214-70-9

文献：Journal of the American Chemical Society, , vol. 105, # 19 p. 6114 - 6120

86324-77-8 ~% 59214-70-9

文献：Journal of the American Chemical Society, , vol. 105, # 19 p. 6114 - 6120

86324-78-9 ~% 59214-70-9

文献：Journal of the American Chemical Society, , vol. 105, # 19 p. 6114 - 6120

68051-08-1 ~% 59214-70-9

文献：Journal of the American Chemical Society, , vol. 105, # 19 p. 6114 - 6120

271-89-6 ~% 59214-70-9

文献：Journal of Organic Chemistry, , vol. 61, # 18 p. 6244 - 6251

上下游产品

上游产品  7
109210-15-3 64150-61-4 58863-52-8 86324-77-8
86324-78-9 68051-08-1 271-89-6
下游产品  10
496-41-3 5101-44-0 26537-68-8 796851-30-4
271-89-6 99661-02-6 7169-34-8 66611-15-2
33224-99-6 614-75-5

海关

海关编码	2932999099
中文概述	2932999099. 其他仅含氧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
Summary	2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%