Ethanol, 1-ethoxy-2,2,2-trifluoro- 三氟乙醛缩半乙醇

CAS 433-27-2 MFCD00000441

化学结构图

433-27-2
SMILES: CCOC(O)C(F)(F)F

化学属性

Mol. FormulaC4H7F3O2
Mol. Weight144.09
Refractive index1.3400 to 1.3440
Density1.221
Boiling Point104-105 °C at 745 mmHg
Flash Point39.4±0.0 °C
TSCAYes

别名和识别编码

Chemical NameTrifluoroacetaldehyde Ethyl Hemiacetal
MDL NumberMFCD00000441
CAS Number433-27-2
Synonym Trifluoroacetaldehyde ethyl hemiacetal (tech.) {LY} Trifluoroacetaldehyde ethyl hemiacetal (tech.) {} {LY} Trifluoroacetaldehyde ethyl hemiacetal (tech.) {} {} {LY} Trifluoroacetaldehyde ethyl hemiacetal (tech.) {} {} {} {LY} Trifluoroacetaldehyde ethyl hemiacetal (tech.) {} {} {} {} {LY} Trifluoroacetaldehyde ethyl hemiacetal (tech.) {} {} {} {} {} {LY} Trifluoroacetaldehyde ethyl hemiacetal (tech.) {} {} {} {} {} {} {LY} Trifluoroacetaldehyde ethyl hemiacetal (tech.) {} {} {} {} {} {} {} {LY} Trifluoroacetaldehyde ethyl hemiacetal (tech.) {} {} {} {} {} {} {} {} {LY} Trifluoroacetaldehyde ethyl hemiacetal (tech.) {} {} {} {} {} {} {} {} {} {LY} Trifluoroacetaldehyde ethyl hemiacetal (tech.) {} {} {} {} {} {} {} {} {} {} {LY} Trifluoroacetaldehyde ethyl hemiacetal (tech.) {} {} {} {} {} {} {} {} {} {} {} {LY} Trifluoroacetaldehyde ethyl hemiacetal (tech.) {} {} {} {} {} {} {} {} {} {} {} {} {LY} Trifluoroacetaldehyde ethyl hemiacetal (tech.) {} {} {} {} {} {} {} {
PubChem Substance ID9897
Beilstein Registry Number906797
EC Number207-087-6
Reaxys-RN906797
Chemical Name Translation三氟乙醛缩半乙醇
InChIKeyKLXJPQNHFFMLIG-UHFFFAOYSA-N
Wiswesser Line NotationFXFFYQO2
LabNetwork Molecule IDLN00241464
InChIInChI=1S/C4H7F3O2/c1-2-9-3(8)4(5,6)7/h3,8H,2H2,1H3
Canonical SMILESFC(F)(F)C(O)OCC
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分类

  • {SNA} Acetals/Ketals/Ortho Esters, Building Blocks, Chemical Synthesis, Organic Building Blocks, Oxygen Compounds

相关文献及参考

  • The synthesis of ɑ-trifluoromethylated alcohols has also been accomplished by In-mediated reaction with allylic bromides in water: Chem. Commun., 1929 (1996).
  • Reacts with nucleophilic organosilanes, e.g. allyltrimethylsilane, TMS cyanide or silyl enol ethers, in the presence of a Lewis acid (ZnI2 or AlCl3) to give a series of ɑ-trifluoromethylated alcohols in high yield: Tetrahedron Lett., 33, 1351 (1992).
  • For a review applications in the synthesis of trifluoromethylated compounds, see: Current Org. Chem., 8, 1659 (2004).

安全信息

RTECSKK9000000
WGK Germany3
Packing GroupIII
UN Number 1989 1993
Risk Statements
  • R10 Flammable 易燃
  • R22 Harmful if swallowed 吞咽有害
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
  • R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
Hazard Codes 3
GHS Symbol
Hazard statements
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H302 Harmful if swallowed 吞食有害
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Precautionary statements
  • P201 Obtain special instructions before use. 使用前获取专门指示。
  • P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P241+P242+P243
  • P242 Use only non-sparking tools. 只能使用无火花工具。
  • P243 Take precautionary measures against static discharge. 采取预防措施，防止静电放电。
  • P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P264+P265
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P301+P312+P330
  • P301+P317
  • P302+P352
  • P303+P361+P353
  • P304+P340+P312
  • P305+P351+P338
  • P305+P351+P338+P337+P313
  • P308+P313
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P330 Rinse mouth. 漱口
  • P332+P317
  • P337+P313
  • P337+P317
  • P362+P364
  • P370+P378
  • P403+P233
  • P403+P235
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Hazard Class3
Storage condition 0-6°C 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 13,1212,1970

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 600 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 13,1212,1970

其他信息

  • Hazard Note:Toxic/Flammable
  • Sigma Aldrich:433-27-2(sigmaaldrich)
  • Acros Organics:1-乙氧基-2，2，-三氟乙醇 Trifluoroacetaldehyde ethyl hemiacetal, 90%(433-27-2)
  • 图谱信息:1-乙氧基-2，2，-三氟乙醇(433-27-2)质谱(MS) 1-乙氧基-2，2，-三氟乙醇(433-27-2)核磁图( 13 CNMR) 1-乙氧基-2，2，-三氟乙醇(433-27-2)红外图谱(IR1)
  • TCI Shanghai:1-乙氧基-2,2,2-三氟乙醇(最多含10%的乙醇) Trifluoroacetaldehyde Ethyl Hemiacetal (contains ca. 10% Ethanol),>;80.0%(GC)(433-27-2)
  • 1-乙氧基-2，2，-三氟乙醇价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0791 三氟乙醛缩半乙醇(最多含10%的乙醇) Trifluoroacetaldehyde Ethyl Hemiacetal (contains ca. 10% Ethanol) 10G 864元 2010/06/21 139710250 1-乙氧基-2，2，-三氟乙醇 Trifluoroacetaldehyde ethyl hemiacetal 90% 25 ML 4175元 2010/06/21 139710050 1-乙氧基-2，2，-三氟乙醇 Trifluoroacetaldehyde ethyl hemiacetal 90% 5 ML 1188元
  • MOL 文件:433-27-2.mol
  • Alfa Aesar:三氟乙醛缩半乙醇,tech.,contains5-10%water Trifluoroacetaldehyde ethyl hemiacetal, tech. Contains 5-10% water(433-27-2)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Oxygen Compounds 氧化合物
  5. Acetals/Ketals/Ortho Esters - Oxygen Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Halogenated 卤化物 (氟氯溴碘)
  5. Fluoro 氟化物
  1. Functional Group 官能团索引
  2. hemiacetal

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