S-Ethyl trifluorothioacetate 三氟硫代乙酸S-乙酯
CAS 383-64-2 MFCD00000421
化学结构图
SMILES: CCSC(=O)C(F)(F)F
化学属性
| Mol. Formula | C4H5F3OS |
|---|---|
| Mol. Weight | 158.14 |
| Refractive index | 1.3750 to 1.3790 |
| Boiling Point | 90.5 °C at 760 mmHg |
| Density | 1.234 g/mL at 25 °C(lit.) |
| Flash Point | 3°C(lit.) |
别名和识别编码
| Chemical Name | S-Ethyl trifluorothioacetate |
|---|---|
| CAS Number | 383-64-2 |
| PubChem Substance ID | 67844 |
| EC Number | 206-852-1 |
| Beilstein Registry Number | 1761564 |
| MDL Number | MFCD00000421 |
| Reaxys-RN | 1761564 |
| Synonym | S-ethyl 2,2,2-trifluoroethanethioate {LY} S-ethyl 2,2,2-trifluoroethanethioate {} {LY} S-ethyl 2,2,2-trifluoroethanethioate {} {} {LY} S-ethyl 2,2,2-trifluoroethanethioate {} {} {} {LY} S-ethyl 2,2,2-trifluoroethanethioate {} {} {} {} {LY} S-ethyl 2,2,2-trifluoroethanethioate {} {} {} {} {} {LY} S-ethyl 2,2,2-trifluoroethanethioate {} {} {} {} {} {} {LY} S-ethyl 2,2,2-trifluoroethanethioate {} {} {} {} {} {} {} {LY} S-ethyl 2,2,2-trifluoroethanethioate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} S-ethyl 2,2,2-trifluoroethanethioate {} {} {} {} {} {} {} {} {} {LY} S-ethyl 2,2,2-trifluoroethanethioate {} {} {} {} {} {} {} {} {} {} {LY} S-ethyl 2,2,2-trifluoroethanethioate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} S-ethyl 2,2,2-trifluoroethanethioate {} {} {} {} {} {} {} {} {} {} {} {} {LY} S-ethyl 2,2,2-trifluoroethanethioate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} S-ethyl 2,2,2-trifl |
| Chemical Name Translation | 三氟硫代乙酸S-乙酯 |
| InChIKey | VGGUKFAVHPGNBF-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN01746507 |
| InChI | InChI=1S/C4H5F3OS/c1-2-9-3(8)4(5,6)7/h2H2,1H3 |
| Canonical SMILES | CCSC(=O)C(F)(F)F |
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分类
- {uni_hamburg} no charge; thioester; 1fragment
- Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfur Compounds, Thiol Esters
- {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfur Compounds, Thiol Esters
相关文献及参考
- Beil. 2 ,IV,567
- Aldrich MSDS 1 , 939:B / Corp MSDS 1 (1), 1663:B / FT-IR 2 (1), 1059:B / FT-IR 1 (1), 653:D / FT-NMR 1 (1), 1011:A / IR-Spectra (3), 386:B / IR-Spectra (2), 342:D / RegBook 1 (1), 735:K / Sigma FT-IR 1 (2), 559:B / Structure Index 1 , 113:B:3 / Vapor Phase 3 , 704:D
- Short: II/14a Title: Molecular Constants: Diamagnetic Molecules Author: Demaison, J.; Dubrulle, A.; Hüttner, W.; Tiemann, E. Editor: Hellwege, K.-H.; Hellwege, A.M. Source: Landolt-Börnstein, New Series Volume: II/14a Page: 1-788 Year: 1982 Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy ISBN: 3-540-11365-7 ISBN: 978-3-540-11365-2 Internet Resource: DOI:10.1007/b19966 RefComment: 196 figs., XI
- Short: II/19b Title: Molecular Constants: Rotational, Centrifugal Distortion and Related Constants of Diamagnetic Asymmetric Top Molecules Author: Demaison, J.; Hüttner, W.; Vogt, J.; Wlodarczak, G. Editor: Hüttner, W. Source: Landolt-Börnstein, New Series Volume: II/19b Year: 1992 Keyword: organic compounds; molecular constants; spectroscopy; microwave spectroscopy ISBN: 3-540-54578-6 ISBN: 978-3-540-54578-1 Internet Resource: DOI:10.1007/b44334 RefComment: XI, 488 pages. Abstract: Volume II/19 Molecular Constants mostly from Microwave, Molecular Beam and Sub-Doppler Laser Spectroscopy is a supplement to the earlier volumes II/4, II/6, and II/14. The slight change in the title reflects current trends in the applications of spectroscopic methods. Together, the four volumes collect all the critically evaluated data published up to 1989/90 on constants of free molecules obtained by classical and modern spectroscopy. Volume II/19 is divided into four parts to record the growing number of investigations, especially in the microwave and millimeter wave regions, where modern techniques like Fourier Transform Microwave Spectroscopy have made new objects of interest su
安全信息
GHS Symbol
- H225 Highly flammable liquid and vapour 高度易燃液体和蒸气
- H315 Causes skin irritation 会刺激皮肤
- H319 Causes serious eye irritation 严重刺激眼睛
- H335 May cause respiratory irritation 可能导致呼吸道刺激
- 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。
- 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
- 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。
- P302+P352
- P303+P361+P353
- P304+P340
- P305+P351+P338
- P319
- P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
- P332+P317
- 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.....
- S36 Wear suitable protective clothing 穿戴适当的防护服；
- 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；
- S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
- R11 Highly flammable 非常易燃
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
其他信息
- Hazard Note:Flammable/Irritant
- MOL 文件:383-64-2.mol
- TCI Shanghai:三氟硫代乙酸S-乙酯[肽研究用三氟乙酰化剂] S-Ethyl Trifluorothioacetate [Trifluoroacetylating Agent for Peptides Research],>;98.0%(GC)(383-64-2)
- F:3-9-13-21
- 图谱信息:乙基三氟巯基乙酯(383-64-2)质谱(MS) 乙基三氟巯基乙酯(383-64-2)核磁图( 13 CNMR) 乙基三氟巯基乙酯(383-64-2)核磁图( 1 HNMR) 乙基三氟巯基乙酯(383-64-2)红外图谱(IR1)
- 乙基三氟巯基乙酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 T0872 三氟硫代乙酸S-乙酯[肽研究用三氟乙酰化剂] S-Ethyl Trifluorothioacetate [Trifluoroacetylating Agent for Peptides Research] 5ML 1700元
- Sigma Aldrich:383-64-2(sigmaaldrich)
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