1129-78-8

• 常用中文名：1-(3-溴丙氧基)-4-氟苯
• 常用英文名：Benzene,1-(3-bromopropoxy)-4-fluoro-
• CAS号：1129-78-8
• 分子式：C₉H₁₀BrFO
• 分子量：233.07800
• 发布时间：2018-03-21 08:00:00
• 更新时间：2024-01-06 17:19:50

名称

• 中文名: 1-(3-溴丙氧基)-4-氟苯
• 英文名: 1-(3-bromopropoxy)-4-fluorobenzene
• 中文别名: 1-(3-溴代丙氧基)-4-氟苯
• 英文别名: 3-(4-fluorophenoxy)propyl bromide; 1-bromo-3-(4-fluorophenoxy)propane; 1-(3-bromopropyloxy)-4-fluorobenzene; 1-(3'-bromopropoxy)-4-fluorobenzene; 1-(4'-fluorophenoxy)-3-bromopropane; 1-bromo-3-(p-fluorophenoxy)propane

物化性质

• 密度: 1.422g/cm3
• 沸点: 282.7ºC at 760mmHg
• 分子式: C₉H₁₀BrFO
• 分子量: 233.07800
• 闪点: 148.8ºC
• 精确质量: 231.99000
• PSA: 9.23000
• LogP: 2.98950
• 蒸汽压: 0.00564mmHg at 25°C
• 折射率: 1.521
• 储存条件:

  密封储存，储存于阴凉、干燥的库房。

• 稳定性:

  避免与不相容材料接触。

  与强氧化剂反应。

• 分子结构:

  1、摩尔折射率：49.92

  2、摩尔体积（cm³/mol）：163.8

  3、等张比容（90.2K）：402.7

  4、表面张力（dyne/cm）：36.5

  5、介电常数：无可用的

  6、极化率（10^-24cm³）：19.79

  7、单一同位素质量：231.989898 Da

  8、标称质量：232 Da

  9、平均质量：233.0775 Da

• 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:4

  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:12

  8.表面电荷:0

  9.复杂度:113

  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,25℃）：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,常压）：未确定

  6. 沸点（ºC,12mmHg）：155

  7. 折射率(n20/D)：未确定

  8. 闪点（ºC）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（kPa,55ºC）：未确定

  12. 饱和蒸气压（kPa,25ºC）：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：未确定

MSDS

Name: 1-(3-Bromopropoxy)-4-fluorobenzene Material Safety Data Sheet Synonym: CAS: 1129-78-8 Section 1 - Chemical Product MSDS Name:1-(3-Bromopropoxy)-4-fluorobenzene Material Safety Data Sheet Synonym: Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 1129-78-8 1-(3-Bromopropoxy)-4-fluorobenzene 100 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. 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: Do not induce vomiting. 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: 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 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. Avoid runoff into storm sewers and ditches which lead to waterways. Section 7 - HANDLING and STORAGE Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes. 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# 1129-78-8: Personal Protective Equipment Eyes: Wear chemical splash goggles. 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: 155 deg C @12mmHg 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: >200 deg C Solubility in water: Specific Gravity/Density: Molecular Formula: C9H10BrFO Molecular Weight: 233.08 Section 10 - STABILITY AND REACTIVITY Chemical Stability: No information found. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents. Hazardous Decomposition Products: Hydrogen chloride, carbon monoxide, carbon dioxide, hydrogen bromide. Hazardous Polymerization: Has not been reported Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 1129-78-8 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-(3-Bromopropoxy)-4-fluorobenzene - 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# 1129-78-8: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 1129-78-8 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 1129-78-8 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): Xn: Harmful;Xi: Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S37/39
• 海关编码: 2909309090

合成路线

371-41-5 109-64-8 ~83% 1129-78-8

文献：Jensen; Ager; Bliss; Canfield; Kotecka; Rieckmann; Terpinski; Jacobus Journal of Medicinal Chemistry, 2001 , vol. 44, # 23 p. 3925 - 3931

1310-73-2 371-41-5 109-64-8 ~73% 1129-78-8

文献：Eisai Co., Ltd. Patent: US2002/19531 A1, 2002 ; US 20020019531 A1

371-41-5 627-30-5 ~% 1129-78-8

文献：Journal of Medicinal Chemistry, , vol. 8, p. 62 - 73

上下游产品

上游产品  3
371-41-5 109-64-8 627-30-5
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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%