2,4,5-Trifluorobenzoic acid 三氟化硼四氢呋喃溶液
CAS 446-17-3 MFCD00013306
化学结构图
SMILES: O=C(O)c1cc(F)c(F)cc1F
化学属性
| Mol. Formula | C7H3F3O2 |
|---|---|
| Mol. Weight | 176 |
| Melting Point | 94-96 |
| TSCA | No |
| Appearance | 白色结晶，熔点100℃。 |
别名和识别编码
| Chemical Name | 2,4,5-Trifluorobenzoic acid |
|---|---|
| CAS Number | 446-17-3 |
| Alfabeta Name | TRIFLUOROBENZOICACID 245-,, |
| MDL Number | MFCD00013306 |
| Beilstein Registry Number | 3257609 |
| PubChem Substance ID | 87577343 |
| Reaxys-RN | 3257609 |
| Synonym | 2,4,5-三氟苯甲酸 2,4,5-Trifluorobenzoic acid 20% solution 2,4,5-Trifluorobenzoic acid 99% 2,4,5-三氟苯甲酸及其衍生物 2,4,5-TrifluoroBenzoicacidsolution 2,4-trifluorobenzoic acid and derivatives 2,4,5-TRIFLUOROBENZOIC ACID AND THE DERIVATIVES 2,4,5-Trifluorobenzoic acid, 99.5+% 2,4,5-TRIFLUOROBENZOIC ACID RARECHEM AL BO 0258 2,4,5-Trilfuorobenzoic acid |
| Chemical Name Translation | 三氟化硼四氢呋喃溶液 |
| LabNetwork Molecule ID | LN00009458 |
| InChIKey | AKAMNXFLKYKFOJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C7H3F3O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12) |
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分类
- Aryl Fluorinated Building Blocks, Building Blocks, C7, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis, Fluorinated Building Blocks, Organic Building Blocks, Organic Fluorinated Building Blocks, Other Fluorinated Organic Building Blocks
- {SNA} Aryl Fluorinated Building Blocks, Building Blocks, C7, 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
- Beil. 9 ,IV,956
- FT-IR 2 (2), 2718:D / FT-NMR 1 (2), 1153:C / RegBook 1 (2), 1823:H / Structure Index 1 , 292:E:2 / Vapor Phase 3 , 1333:A
安全信息
- 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。
- 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
- P302+P352+P332+P313+P362+P364
- P304+P340
- P305+P351+P338
- P305+P351+P338+P337+P313
- P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
- P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
- P332+P313
- P337+P313
- 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
- P403+P233
- P405 Store locked up. 上锁保管。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
GHS Symbol
- 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
- 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 Wear suitable protective clothing 穿戴适当的防护服；
- S37 Wear suitable gloves 戴适当手套；
- 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
- MOL 文件:446-17-3.mol
- Sigma Aldrich:446-17-3(sigmaaldrich)
- Acros Organics:2，4，5-三氟苯甲酸 2,4,5-Trifluorobenzoic acid, 99.5+%(446-17-3)
- TCI Shanghai:2,4,5-三氟苯甲酸 2,4,5-Trifluorobenzoic Acid,>;97.0%(GC)(T)(446-17-3)
- Alfa Aesar:2,4,5-三氟苯甲酸,98% 2,4,5-Trifluorobenzoic acid, 98%(446-17-3)
- 图谱信息:2,4,5-三氟苯甲酸(446-17-3)红外图谱(IR2) 2,4,5-三氟苯甲酸(446-17-3)核磁图( 13 CNMR) 2,4,5-三氟苯甲酸(446-17-3)红外图谱(IR1) 2,4,5-三氟苯甲酸(446-17-3)核磁图( 1 HNMR) 2,4,5-三氟苯甲酸(446-17-3)质谱(MS)
- 上游原料:间苯二甲酸 --> 百菌清 --> 2,4-二氟苯胺 --> 1,2,4-三氟苯
- Hazard Note:Irritant
- 方法一:1.以四氯间苯二甲腈（即百菌清）为起始原料，经氟化、选择性还原、部分脱氟成2,4,5-三氟间苯二甲腈，然后水解成2,4,5-三氟间苯二甲酸，最后选择性脱羧而得该品。2. 2,4-二氟苯胺法。产品收率为80.2%。3. 1,2,4-三氟苯法。第一步反应收率89%，第二步收率90.1%。
- 用途二:本品是一种精细有机氟合成中间体，可用于特马沙星及液晶等的合成。
- 用途一:用作医药中间体，也用于制备航空、航天用的液晶材料
- 2,4,5-三氟苯甲酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 L1162102 2，4，5-三氟苯甲酸 5g 1442元 2011/04/16 T1586 2,4,5-三氟苯甲酸 2,4,5-Trifluorobenzoic Acid 5G 594元 2011/04/16 T1586 2,4,5-三氟苯甲酸 2,4,5-Trifluorobenzoic Acid 25G 1770元
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