88378-50-1

• 常用中文名：3-溴-1,1,1-三氟-2-丙醇
• 常用英文名：3-bromo-1,1,1-trifluoro-2-propanol
• CAS号：88378-50-1
• 分子式：C₃H₄BrF₃O
• 分子量：192.96200
• 发布时间：2018-12-29 17:46:54
• 更新时间：2024-01-19 18:56:55

名称

• 中文名: 3-溴-1,1,1-三氟-2-丙醇
• 英文名: 3-bromo-1,1,1-trifluoro-2-propanol
• 英文别名: Fmoc-4-phenyl-phenylalanine; Fmoc-L-4-phenyl-phenylalanine; (S)-3-biphenyl-4-yl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propionic acid; (S)-2-(benzyloxycarbonylamino)succinimide; (S)-3-Bromo-1,1,1-trifluoro-2-propanol; (S)-(+)-1-Bromo-3,3,3-trifluoro-2-propanol; (S)-3-benzyloxycarbonylaminopyrrolidine-2,5-dione; N-benzyloxycarbonyl-L-aspartic acid imide; Fmoc-Bip-OH; (S)-3-N-carbobenzyloxyaminosuccinimide; (S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-(biphenyl-4-yl)propanoic acid; (3S)-3-(benzyloxycarbonylamino)succinimide; MFCD00040945; 3-(S)-N-benzyloxycarbonylaminopyrrolidine-2,5-dione; Fmoc-4-phenyl-L-alanine; (s)-(2,5-dioxo-pyrrolidin-3-yl)-carbamic acid benzyl ester; (S)-3-N-Cbz-amino-succinimide; (S)-benzyl 2,5-dioxopyrrolidin-3-ylcarbamate; Fmoc-(p-Phe)Phe-OH

物化性质

• 密度: 1.861 g/mL at 25ºC(lit.)
• 沸点: 124.5ºC743 mm Hg(lit.)
• 分子式: C₃H₄BrF₃O
• 分子量: 192.96200
• 闪点: 110 °F
• 精确质量: 191.94000
• PSA: 20.23000
• LogP: 1.30450
• 折射率: n20/D 1.4(lit.)
• 分子结构:

  1、 摩尔折射率：25.62

  2、 摩尔体积（m³/mol）：105.5

  3、 等张比容(90.2K)：241.3

  4、 表面张力(dyne/cm)：27.3

  5、 极化率(10-24cm³)：10.16

• 计算化学:

  1.疏水参数计算参考值（XlogP）:1.5

  2.氢键供体数量:1

  3.氢键受体数量:4

  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20.2

  7.重原子数量:8

  8.表面电荷:0

  9.复杂度:71.4

  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:1

  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：未确定

  2. 密度（g/mL25 ºC）：1.861

  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（ºC743mmHg）：124.5

  7. 折射率：n20/D 1.4

  8. 闪点（ºF）：110

  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（Pa,）：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（正辛醇/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: 3-Bromo-1 1 1-trifluoro-2-propanol 96% (g c) Material Safety Data Sheet Synonym: 3-Bromo-1,1,1-trifluoroisopropano CAS: 88378-50-1 Section 1 - Chemical Product MSDS Name:3-Bromo-1 1 1-trifluoro-2-propanol 96% (g c) Material Safety Data Sheet Synonym:3-Bromo-1,1,1-trifluoroisopropano Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 88378-50-1 3-Bromo-1,1,1-trifluoro-2-propanol 96 unlisted Hazard Symbols: XI Risk Phrases: 36/37/38 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Irritating to eyes, respiratory system and skin.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: Causes eye irritation. Skin: Causes skin irritation. Ingestion: The toxicological properties of this substance have not been fully investigated. Inhalation: Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. 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. 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# 88378-50-1: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. 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, colorless Odor: Not available. pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: 124 - 126 deg C @ 760.00mm Hg 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: C3H4BrF3O Molecular Weight: 192.96 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# 88378-50-1 unlisted. LD50/LC50: Not available. Carcinogenicity: 3-Bromo-1,1,1-trifluoro-2-propanol - 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# 88378-50-1: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 88378-50-1 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 88378-50-1 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): 36/37/38
• 安全声明 (欧洲): 26-36
• 危险品运输编码: UN 1987 3/PG 3
• WGK德国: 3
• 海关编码: 2905590090

合成路线

431-35-6 ~15% 88378-50-1

文献：Bucciarelli, Maria; Forni. Arrigo; Moretti, Irene; Torre, Giovanni Synthesis, 1983 , # 11 p. 897 - 899

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海关

海关编码	2905590090
中文概述	2905590090 其他无环醇的卤化、磺化等衍生物。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, 包装
Summary	2905590090 other halogenated, sulphonated, nitrated or nitrosated derivatives of acyclic alcohols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%