23529-80-8

• 常用中文名：1-(4-溴丁氧基)-3-氯苯
• 常用英文名：D-2-THIENYLALANINE
• CAS号：23529-80-8
• 分子式：C₁₀H₁₂BrClO
• 分子量：263.55900
• 发布时间：2018-09-05 11:18:03
• 更新时间：2024-01-14 18:14:51

名称

• 中文名: 1-(4-溴丁氧基)-3-氯苯
• 英文名: 1-(4-bromobutoxy)-3-chlorobenzene
• 英文别名: MFCD02030561; 1-(4-Bromobutoxy)-3-chlorobenzene

物化性质

• 密度: 1.401g/cm3
• 沸点: 322.5ºC at 760mmHg
• 分子式: C₁₀H₁₂BrClO
• 分子量: 263.55900
• 闪点: 148.9ºC
• 精确质量: 261.97600
• PSA: 9.23000
• LogP: 3.89390
• 蒸汽压: 0.000524mmHg at 25°C
• 折射率: 1.552-1.554
• 储存条件:

  密闭于阴凉干燥环境中

• 稳定性:

  遵照规定使用和储存则不会分解。

• 分子结构:

  1、 摩尔折射率：59.45

  2、 摩尔体积（m³/mol）：188.0

  3、 等张比容（90.2K）：471.3

  4、 表面张力（dyne/cm）：39.4

  5、 极化率（10 ^-24cm ³）：23.57

• 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:1

  4.可旋转化学键数量:5

  5.互变异构体数量:无

  6.拓扑分子极性表面积9.2

  7.重原子数量:13

  8.表面电荷:0

  9.复杂度:132

  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：无可用

  2. 密度（g/mL,25/4℃）：无可用

  3. 相对蒸汽密度（g/mL,空气=1）：无可用

  4. 熔点（ºC）：无可用

  5. 沸点（ºC,常压）：151-154

  6. 沸点（ºC,5.2kPa）：无可用

  7. 折射率：1.552-1.554

  8. 闪点（ºC）：无可用

  9. 比旋光度（º）：无可用

  10. 自燃点或引燃温度（ºC）：无可用

  11. 蒸气压（kPa,25ºC）：无可用

  12. 饱和蒸气压（kPa,60ºC）：无可用

  13. 燃烧热（KJ/mol）：无可用

  14. 临界温度（ºC）：无可用

  15. 临界压力（KPa）：无可用

  16. 油水（辛醇/水）分配系数的对数值：无可用

  17. 爆炸上限（%,V/V）：无可用

  18. 爆炸下限（%,V/V）：无可用

  19. 溶解性：无可用

MSDS

Name: 1-(4-Bromobutoxy)-3-chlorobenzene 95% Material Safety Data Sheet Synonym: CAS: 23529-80-8 Section 1 - Chemical Product MSDS Name:1-(4-Bromobutoxy)-3-chlorobenzene 95% Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 23529-80-8 1-(4-Bromobutoxy)-3-chlorobenzene 95% unlisted Hazard Symbols: XN Risk Phrases: 20/22 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful by inhalation and if swallowed. Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Lachrymator (substance which increases the flow of tears). Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: Harmful if swallowed. Causes gastrointestinal tract irritation. 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. 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: 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. Combustible liquid. 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: Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable 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: Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 23529-80-8: 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: clear slight brown Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 151 - 154 deg C @7mmHg 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: >150 deg C Solubility in water: Specific Gravity/Density: Molecular Formula: C10H12BrClO Molecular Weight: 263.56 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, strong bases. Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, carbon dioxide, hydrogen bromide, chloride fumes, bromine fumes, chlorinated phenols, bromide fumes. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 23529-80-8 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-(4-Bromobutoxy)-3-chlorobenzene - 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 LIQUID, ORGANIC, N.O.S.* Hazard Class: 6.1 UN Number: 2810 Packing Group: III IMO Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2810 Packing Group: III RID/ADR Shipping Name: TOXIC LIQUID, ORGANIC, N.O.S. Hazard Class: 6.1 UN Number: 2810 Packing group: III Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 20/22 Harmful by inhalation and if swallowed. 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# 23529-80-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 23529-80-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 23529-80-8 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: 该物质对环境可能有危害，对水体应给予特别注意。

安全

• 危害码 (欧洲): Xn: Harmful;
• 风险声明 (欧洲): 36/37/38-20/22
• 安全声明 (欧洲): 37/39-26
• 海关编码: 2909309090

合成路线

110-52-1 108-43-0 ~76% 23529-80-8

文献：TOSOH CORPORATION Patent: EP1829857 A1, 2007 ; Location in patent: Page/Page column 15-16 ;

上下游产品

上游产品  2
110-52-1 108-43-0
下游产品  0

海关

海关编码	2909309090
中文概述	2909309090 其他芳香醚及其卤化衍生物、磺化、硝化衍生物（包括亚硝化衍生物）。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:5.5%。普通关税:30.0%
申报要素	品名, 成分含量, 用途
Summary	2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%