56658-04-9

• 常用中文名：2-溴-5-甲氧基苯-1-甲酰氯
• 常用英文名：2-bromo-5-methoxybenzoyl chloride
• CAS号：56658-04-9
• 分子式：C₈H₆BrClO₂
• 分子量：249.48900
• 发布时间：2018-06-08 08:55:51
• 更新时间：2024-01-17 07:24:41
• 下载msds

名称

• 中文名: 2-溴-5-甲氧基苯甲酰氯
• 英文名: 2-bromo-5-methoxybenzoyl chloride
• 中文别名: 2-溴-5-甲氧基苯-1-甲酰氯
• 英文别名: 1-(2-bromo-5-methoxy)benzoyl chloride; 2-bromanyl-5-methoxy-benzoyl chloride; 2-bromo-5-methoxybenzene-1-carbonylchloride; 5-methoxy-2-bromobenzoyl chloride; 2-bromo-5-methoxybenzoic acid chloride; MFCD00219937; 2-bromo-5-methoxy-benzoyl chloride

物化性质

• 密度: 1.598g/cm3
• 沸点: 110 °C
• 分子式: C₈H₆BrClO₂
• 分子量: 249.48900
• 闪点: 175-177°C/15mm
• 精确质量: 247.92400
• PSA: 26.30000
• LogP: 2.83670
• 折射率: 1.565
• 储存条件:

  保持贮藏器密封、储存在阴凉、干燥的地方，确保工作间有良好的通风或排气装置

• 稳定性:

  如果遵照规格使用和储存则不会分解，未有已知危险反应

• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.1

  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:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积26.3

  7.重原子数量:12

  8.表面电荷:0

  9.复杂度:174

  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. 性状：液体

  2. 密度（g/mL,15ºC）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）： 未确定

  4. 熔点（ºC）：未确定

  5. 沸点（ºC）：110

  6. 沸点（ºC，15mmHg）：175-177

  7. 折射率：未确定

  8. 闪点（°C）：175-177°C/15mm

  9. 比旋光度（ºC）：未确定

  10. 自燃点或引燃温度（ºC）： 未确定

  11. 蒸气压（kPa,25ºC）：未确定

  12. 饱和蒸气压（kPa,60ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：反应

MSDS

Name: 2-Bromo-5-methoxybenzene-1-carbonyl chloride 97% Material Safety Data Sheet Synonym: 2-Bromo-5-methoxybenzoyl chlorid CAS: 56658-04-9 Section 1 - Chemical Product MSDS Name:2-Bromo-5-methoxybenzene-1-carbonyl chloride 97% Material Safety Data Sheet Synonym:2-Bromo-5-methoxybenzoyl chlorid Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 56658-04-9 2-Bromo-5-methoxybenzene-1-carbonyl ch 97% unlisted Hazard Symbols: C Risk Phrases: 34 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Causes burns.Moisture sensitive. Potential Health Effects Eye: Causes eye burns. Skin: Causes skin burns. Ingestion: Causes gastrointestinal tract burns. Inhalation: Causes chemical burns to the respiratory tract. Chronic: Not available. Section 4 - FIRST AID MEASURES Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. Skin: Get medical aid immediately. 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 immediately. 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. 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. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Vacuum or sweep up material and place into a suitable disposal container. Section 7 - HANDLING and STORAGE Handling: 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. Corrosives area. Store under nitrogen. 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# 56658-04-9: 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: Liquid Color: pale yellow Odor: pungent odor pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 176 deg C @15mmHg Freezing/Melting Point: Not available. 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: C8H6BrClO2 Molecular Weight: 249 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials, exposure to moist air or water. Incompatibilities with Other Materials: Oxidizing agents, reducing agents, bases, amines. Hazardous Decomposition Products: Hydrogen chloride, chlorine, carbon monoxide, carbon dioxide, hydrogen bromide, bromine. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 56658-04-9 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-Bromo-5-methoxybenzene-1-carbonyl chloride - 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: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S.* Hazard Class: 8 UN Number: 3265 Packing Group: II IMO Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3265 Packing Group: II RID/ADR Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3265 Packing group: II Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: C Risk Phrases: R 34 Causes burns. Safety Phrases: 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. S 45 In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). WGK (Water Danger/Protection) CAS# 56658-04-9: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 56658-04-9 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 56658-04-9 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 对水是稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统，若无政府许可，勿将材料排入周围环境。

安全

• 危害码 (欧洲): Xn
• 风险声明 (欧洲): R34
• 安全声明 (欧洲): S26-S36/37/39
• 危险品运输编码: 3265
• 包装等级: II
• 危险类别: 8
• 海关编码: 2918990090

合成路线

22921-68-2 ~10% 56658-04-9

文献：Hellwinkel, Dieter; Bohnet, Siegbert Chemische Berichte, 1987 , vol. 120, p. 1151 - 1174

79-37-8 22921-68-2 ~% 56658-04-9

文献：US2003/55085 A1, ; US 20030055085 A1

586-38-9 ~% 56658-04-9

文献：Chemische Berichte, , vol. 120, p. 1151 - 1174

100-84-5 ~% 56658-04-9

文献：Chemische Berichte, , vol. 120, p. 1151 - 1174

上下游产品

上游产品  4
22921-68-2 79-37-8 586-38-9 100-84-5
下游产品  10
212908-12-8 957063-12-6 6342-63-8 336129-03-4
10126-37-1 77973-25-2 99848-43-8 56658-05-0
56658-06-1 60080-98-0

海关

海关编码	2918990090
中文概述	2918990090. 其他含其他附加含氧基羧酸（包括酸酐、酰卤化物、过氧化物和过氧酸及该税号的衍生物）. 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:30.0%
申报要素	品名, 成分含量, 用途
Summary	2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%