Chlorodifluoroacetic Acid Methyl Ester 氯二氟乙酸甲酯

CAS 1514-87-0 MFCD00000775

化学结构图

1514-87-0
SMILES: COC(=O)C(F)(F)Cl

化学属性

Mol. FormulaC3H3ClF2O2
Mol. Weight144.50
Refractive index1.3480 to 1.3510
Boiling Point79-81°C at 760 mmHg
Density1.37
Flash Point19°C
TSCAYes
Stability对湿度敏感

别名和识别编码

Chemical NameChlorodifluoroacetic Acid Methyl Ester
CAS Number1514-87-0
PubChem Substance ID73935
EC Number216-154-9
Beilstein Registry Number1756072
MDL NumberMFCD00000775
Reaxys-RN1756072
Synonym Chlorodifluoroacetic acid methyl ester {LY} Chlorodifluoroacetic acid methyl ester {} {LY} Chlorodifluoroacetic acid methyl ester {} {} {LY} Chlorodifluoroacetic acid methyl ester {} {} {} {LY} Chlorodifluoroacetic acid methyl ester {} {} {} {} {LY} Chlorodifluoroacetic acid methyl ester {} {} {} {} {} {LY} Chlorodifluoroacetic acid methyl ester {} {} {} {} {} {} {LY} Chlorodifluoroacetic acid methyl ester {} {} {} {} {} {} {} {LY} Chlorodifluoroacetic acid methyl ester {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Chlorodifluoroacetic acid methyl ester {} {} {} {} {} {} {} {} {} {LY} Chlorodifluoroacetic acid methyl ester {} {} {} {} {} {} {} {} {} {} {LY} Chlorodifluoroacetic acid methyl ester {} {} {} {} {} {} {} {} {} {} {} {LY} Chlorodifluoroacetic acid methyl ester {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} Chlorodifluoroacetic acid methyl ester {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Chlorodifluoroacetic acid
Chemical Name Translation氯二氟乙酸甲酯
InChIKeyAWUPLMYXZJKHEG-UHFFFAOYSA-N
LabNetwork Molecule IDLN00222918
InChIInChI=1S/C3H3ClF2O2/c1-8-2(7)3(4,5)6/h1H3
Canonical SMILESO=C(OC)C(F)(Cl)F
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分类

  • {SA} Building Blocks, C2 to C5, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • {SNA} Alkyl Fluorinated Building Blocks, Building Blocks, C2 to C5, Carbonyl Compounds, Chemical Synthesis, Esters, Fluorinated Building Blocks, Organic Building Blocks, Organic Fluori
  • Alkyl Fluorinated Building Blocks, Building Blocks, C2 to C5, Carbonyl Compounds, Chemical Synthesis, Esters, Fluorinated Building Blocks, Organic Building Blocks, Organic Fluorinated Building Blocks, Other Fluorinated Organic Building Blocks

产品应用

  • Used in preparation of gem-difluorocyclopropane.2 and 2,2-difluoro-3-hydroxyesters1

相关文献及参考

  • Convenient trifluoromethylating agent. In combination with CuI, KF and DMF, trifluoromethylation of aryl and vinyl halides is achieved via the generation of trifluoromethylcopper: Tetrahedron Lett., 32, 7689 (1991); J. Fluorine Chem., 55, 225 (1992). Similarly, nitroaryl chlorides undergo substitution to give the trifluoromethyl derivatives in high yield: J. Fluorine Chem., 66, 167 (1994).
  • Convenient trifluoromethylating agent. In combination with CuI, KF and DMF, trifluoromethylation of aryl and vinyl halides is achieved via the generation of trifluoromethylcopper: Tetrahedron Lett., 32, 7689 (1991); J. Fluorine Chem., 55, 225 (1992). Similarly, nitroaryl chlorides undergo substitution to give the trifluoromethyl derivatives in high yield: J. Fluorine Chem., 66, 167 (1994).

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
  • H314 Causes severe skin burns and eye damage 导致严重的皮肤灼伤和眼睛损伤
Personal Protective Equipment Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Hazard Codes 3 F,C
Precautionary statements
  • 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。
  • 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+P330+P331
  • P301+P330+P331+P310
  • P303+P361+P353
  • P303+P361+P353+P310+P363
  • P304+P340
  • P304+P340+P310
  • P305+P351+P338
  • P305+P351+P338+P310
  • P310 Immediately call a POISON CENTER or doctor/physician. 立即呼救解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P363 Wash contaminated clothing before reuse. 被污染的衣服洗净后方可重新使用。
  • P370+P378
  • 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 Danger
Safety Statements
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时，立即求医（可能时出示标签）；
Risk Statements
  • R11 Highly flammable 非常易燃
  • R34 Causes burns 会导致灼伤
  • R37 Irritating to respiratory system 刺激呼吸道
UN Number 2924 UN2924
Storage condition -20°C {LY} -20°C Flammables area Moisture Sensitive {} {LY} -20°C {} {} {LY} -20°C {} {} {} {LY} -20°C {} {} {} {} {LY} -20°C {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Packing GroupII
Hazard Class3/8

其他信息

  • TCI Shanghai:氯二氟乙酸甲酯 Methyl Chlorodifluoroacetate,>;96.0%(GC)(1514-87-0)
  • F:19
  • Alfa Aesar:氯代二氟乙酸甲酯,98% Methyl chlorodifluoroacetate, 98%(1514-87-0)
  • Chlorodifluoroacetic acid methyl ester is a trifluoromethylating agent.3
  • Acros Organics:2-氯-2,2-二氟乙酸甲酯 Methyl 2-chloro-2,2-difluoroacetate, 99%(1514-87-0)
  • 敏感性:Moisture Sensitive
  • Hazard Note:Highly Flammable/Moisture Sensitive
  • 2-氯-2,2-二氟乙酸甲酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 C1586 氯二氟乙酸甲酯 Methyl Chlorodifluoroacetate 5G 245元 2014/06/02 C1586 氯二氟乙酸甲酯 Methyl Chlorodifluoroacetate 25G 645元 2010/06/21 308010250 2-氯-2,2-二氟乙酸甲酯 Methyl 2-chloro-2,2-difluoroacetate 99% 25 GR 733元
  • MOL 文件:1514-87-0.mol
  • 图谱信息:2-氯-2,2-二氟乙酸甲酯(1514-87-0)核磁图( 13 CNMR) 2-氯-2,2-二氟乙酸甲酯(1514-87-0)核磁图( 1 HNMR) 2-氯-2,2-二氟乙酸甲酯(1514-87-0)质谱(MS)

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. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl 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. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  6. C2 to C5 - Esters
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters
  6. C12 to C63

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