Pentafluorophenylacetic Acid 五氟苯基乙酸
CAS 653-21-4 MFCD00004316
化学结构图
SMILES: O=C(O)Cc1c(F)c(F)c(F)c(F)c1F
化学属性
| Mol. Formula | C8H3F5O2 |
|---|---|
| Mol. Weight | 226.10 |
| Melting Point | 108-110 °C |
| Density | 1.422 |
| TSCA | No |
| Boiling Point | 235.3±35.0 °C at 760 mmHg |
别名和识别编码
| Chemical Name | Pentafluorophenylacetic Acid |
|---|---|
| CAS Number | 653-21-4 |
| Alfabeta Name | PENTAFLUOROPHENYLACETICACID |
| MDL Number | MFCD00004316 |
| PubChem Substance ID | 69553 |
| EC Number | 211-497-0 |
| Beilstein Registry Number | 2056612 |
| Reaxys-RN | 2056612 |
| Synonym | 2-(Perfluorophenyl)acetic acid {LY} 2-(Perfluorophenyl)acetic acid {} {LY} 2-(Perfluorophenyl)acetic acid {} {} {LY} 2-(Perfluorophenyl)acetic acid {} {} {} {LY} 2-(Perfluorophenyl)acetic acid {} {} {} {} {LY} 2-(Perfluorophenyl)acetic acid {} {} {} {} {} {LY} 2-(Perfluorophenyl)acetic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Perfluorophenyl)acetic acid {} {} {} {} {} {} {} {LY} 2-(Perfluorophenyl)acetic acid {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {LY} 2-(Perfluorophenyl)acetic acid {} {} {} {} {} {} {} {} {} {LY} 2-(Perfluorophenyl)acetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Perfluorophenyl)acetic acid {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Perfluorophenyl)acetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Perfluorophenyl)acetic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-(Perfluoro |
| Chemical Name Translation | 五氟苯基乙酸 |
| InChIKey | LGCODSNZJOVMHV-UHFFFAOYSA-N |
| LabNetwork Molecule ID | LN01328552 |
| InChI | InChI=1S/C8H3F5O2/c9-4-2(1-3(14)15)5(10)7(12)8(13)6(4)11/h1H2,(H,14,15) |
| Canonical SMILES | O=C(O)CC1=C(F)C(F)=C(F)C(F)=C1F |
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分类
- Aryl Fluorinated Building Blocks, Building Blocks, C7-C8, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Fluorinated Building Blocks, Organic Building Blocks, Organic Fluorinated Building Blocks, Other Fluorinated Organic Building Blocks
- {SA} Aryl Fluorinated Building Blocks, Building Blocks, C7-C8, C8, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Fluorinated Building Blocks, Organic Building Blocks, Organic Fluorinated Building Blocks, Other Fluorinated Organic Building Blocks
相关文献及参考
- Corp MSDS 1 (2), 2706:A / FT-IR 2 (2), 2627:A / FT-NMR 1 (2), 1040:B / RegBook 1 (2), 1769:A / Structure Index 1 , 282:B:6
安全信息
GHS Symbol
- 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。
- P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P305+P351+P338
- P305+P351+P338+P337+P313
- 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
- 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；
- S37 Wear suitable gloves 戴适当手套；
- 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；
- 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
- 用途一:医药、农药、液晶材料中间体。
- MOL 文件:653-21-4.mol
- Hazard Note:Irritant
- 上游原料:氢氧化钠 --> 乙醚 --> 甲苯 --> 溴 --> 硫酸镁 --> 镁 --> 亚硫酸钠 --> 1,2,4,5-四氯苯
- 图谱信息:5-氟苯乙酸 (653-21-4)红外图谱(IR2) 5-氟苯乙酸 (653-21-4)红外图谱(IR1) 5-氟苯乙酸 (653-21-4)质谱(MS) 5-氟苯乙酸 (653-21-4)Raman光谱 5-氟苯乙酸 (653-21-4)核磁图( 1 HNMR)
- Sigma Aldrich:653-21-4(sigmaaldrich)
- TCI Shanghai:五氟苯基乙酸 Pentafluorophenylacetic Acid,>;98.0%(GC)(T)(653-21-4)
- Acros Organics:2,3,4,5,6-Pentafluorphenylacetic acid, 99%(653-21-4)
