578-51-8

• 常用中文名：1-溴-2-(氯甲基)苯
• 常用英文名：2-bromobenzyl chloride
• CAS号：578-51-8
• 分子式：C₇H₆BrCl
• 分子量：205.48000
• 相关类别： 化学试剂 有机试剂 酰卤
• 发布时间：2018-05-12 08:00:00
• 更新时间：2024-01-11 10:02:30

名称

• 中文名: 2-溴苄氯
• 英文名: 1-bromo-2-(chloromethyl)benzene
• 中文别名: 2-溴苯甲基氯; 2-溴苄基氯
• 英文别名: Benzene,1-bromo-2-(chloromethyl); 2-Bromobenzyl chloride; bromobenzyl chloride; 1-bromo-2-chloromethylbenzene; o-bromobenzyl chloride; MFCD00040863

物化性质

• 密度: 1.541g/cm3
• 沸点: 110-111 °C (15 mmHg)
• 分子式: C₇H₆BrCl
• 分子量: 205.48000
• 闪点: 110-111°C/15mm
• 精确质量: 203.93400
• LogP: 3.18790
• 外观性状: 透明无色至淡黄色液体
• 折射率: 1.586
• 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:

  稳定性和反应性：

  要避免的物料：氧化物,水分，潮湿，碱。

  要分解的产品：一氧化碳和二氧化碳，溴化氢，氯化氢。

• 分子结构:

  五、分子性质数据：

  1、 摩尔折射率：43.70

  2、 摩尔体积（m³/mol）：133.3

  3、 等张比容（90.2K）：333.0

  4、 表面张力（dyne/cm）：38.9

  5、 极化率（10^-24cm³）：17.32

• 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:0

  4.可旋转化学键数量:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积0

  7.重原子数量:9

  8.表面电荷:0

  9.复杂度:85

  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:

  一、物性数据

  1. 沸点（ºC,5.2kPa）： 110-111

  2. 折射率：n20/D 1.586(lit.)

  3. 闪点（ºC）：110-111

MSDS

Name: 2-Bromobenzyl chloride 98% Material Safety Data Sheet Synonym: CAS: 578-51-8 Section 1 - Chemical Product MSDS Name:2-Bromobenzyl chloride 98% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 578-51-8 2-Bromobenzyl chloride 98% unlisted Hazard Symbols: C Risk Phrases: 34 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Causes burns. Potential Health Effects Eye: Causes eye burns. Lachrymator (substance which increases the flow of tears). 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. 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. 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# 578-51-8: 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: Liquid Color: Not available. Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 110 - 111 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: C7H6BrCl Molecular Weight: 205.48 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, carbon dioxide, hydrogen fluoride gas. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 578-51-8 unlisted. LD50/LC50: Not available. Carcinogenicity: 2-Bromobenzyl 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: III IMO Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3265 Packing Group: III RID/ADR Shipping Name: CORROSIVE LIQUID, ACIDIC, ORGANIC, N.O.S. Hazard Class: 8 UN Number: 3265 Packing group: III 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# 578-51-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 578-51-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 578-51-8 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): C
• 风险声明 (欧洲): 34
• 安全声明 (欧洲): S45-S36/37/39-S26
• 危险品运输编码: 3265
• 包装等级: III
• 危险类别: 8

合成路线

18982-54-2 ~92% 578-51-8

文献：Zhang, Yu; Stephens, David; Hernandez, Graciela; Mendoza, Rosalinda; Larionov, Oleg V. Chemistry - A European Journal, 2012 , vol. 18, # 52 p. 16612 - 16615

95-46-5 ~% 578-51-8

文献：Journal of the American Chemical Society, , vol. 73, p. 2940

50-00-0 108-86-1 ~% 578-51-8 589-17-3

文献：Bulletin de la Societe Chimique de France, , vol. <4> 41, p. 331

7791-25-5 95-46-5 94-36-0 ~% 95-49-8 详细

文献：Journal of the American Chemical Society, , vol. 73, p. 2940

7647-01-0 50-00-0 108-86-1 7646-78-8 ~% 详细

文献：Bulletin de la Societe Chimique de France, , vol. <4> 41, p. 331

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