406-81-5

• 常用中文名：1-溴-4,4,4-三氟丁烷
• 常用英文名：4-Bromo-1,1,1-trifluorobutane
• CAS号：406-81-5
• 分子式：C₄H₆BrF₃
• 分子量：190.990
• 相关类别： 化学试剂 有机试剂 烷烃
• 发布时间：2018-05-10 08:00:00
• 更新时间：2024-01-03 10:09:10
• 下载msds

名称

• 中文名: 1-溴-4,4,4-三氟丁烷
• 英文名: 4-Bromo-1,1,1-trifluorobutane
• 中文别名: 4-溴-1,1,1-三氟丁烷
• 英文别名: MFCD00066335; 4-Bromo-1,1,1-trifluorobutane; 1-Bromo-4,4,4-trifluorobutane; Butane, 4-bromo-1,1,1-trifluoro-

物化性质

• 密度: 1.5±0.1 g/cm3
• 沸点: 95.7±8.0 °C at 760 mmHg
• 分子式: C₄H₆BrF₃
• 分子量: 190.990
• 闪点: -0.7±14.3 °C
• 精确质量: 189.960495
• LogP: 2.19
• 外观性状: 无色液体
• 蒸汽压: 51.4±0.2 mmHg at 25°C
• 折射率: 1.380
• 储存条件: 室温，密封
• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.8

  2.氢键供体数量:0

  3.氢键受体数量:3

  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:0

  7.重原子数量:8

  8.表面电荷:0

  9.复杂度:58.8

  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

MSDS

Name: 1-Bromo-4 4 4-trifluorobutane 99% Material Safety Data Sheet Synonym: 4,4,4-Trifluorobutyl bromid CAS: 406-81-5 Section 1 - Chemical Product MSDS Name:1-Bromo-4 4 4-trifluorobutane 99% Material Safety Data Sheet Synonym:4,4,4-Trifluorobutyl bromid Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 406-81-5 1-Bromo-4,4,4-trifluorobutane 99% unlisted Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. May be harmful if absorbed through the skin. Ingestion: May cause irritation of the digestive tract. May be harmful if swallowed. Inhalation: Causes respiratory tract irritation. May be harmful if inhaled. 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: 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. 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# 406-81-5: 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 to slight yellow Odor: organohalide-like - characteristic odor pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 103 - 105 deg C @ 760mmHg 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: 1.3817 Molecular Formula: C4H6BrF3 Molecular Weight: 190.99 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not available. Conditions to Avoid: Incompatible materials. Incompatibilities with Other Materials: Strong oxidizing agents, strong reducing agents, strong acids, strong bases. Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, hydrogen fluoride gas, hydrogen bromide. Hazardous Polymerization: Has not been reported. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 406-81-5 unlisted. LD50/LC50: Not available. Carcinogenicity: 1-Bromo-4,4,4-trifluorobutane - 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 Not regulated as a hazardous material. IMO Not regulated as a hazardous material. RID/ADR Not regulated as a hazardous material. Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XI Risk Phrases: 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# 406-81-5: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 406-81-5 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 406-81-5 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: Irritant;
• 风险声明 (欧洲): R36/37/38
• 安全声明 (欧洲): S26-S36
• 危险品运输编码: UN 1993
• 包装等级: II
• 海关编码: 2903799090

合成路线

461-18-7 ~% 406-81-5

文献：ICI Americas Inc. Patent: US4552883 A1, 1985 ;

2623-87-2 ~% 406-81-5

文献：Oregon Health and Science University; U.S. Department of Veterans Affairs Patent: US7829578 B1, 2010 ; Location in patent: Page/Page column 14-15 ;

上下游产品

上游产品  2
461-18-7 2623-87-2
下游产品  3
352-61-4 128985-16-0 89866-61-5

海关

海关编码	2903799090
中文概述	2903799090 其他无环烃卤化衍生物（含二种或三种以上不同卤素）。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%
Summary	2903799090 halogenated derivatives of acyclic hydrocarbons containing two or more different halogens。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%