4,4,4-trifluorobutyric acid (CAS 406-93-9) — formula C4H5F3O2, molecular weight 142.08; category organic chemicals.
4,4,4-trifluorobutyric acid is a carbon-based organic compound with CAS registry number 406-93-9 and molecular formula C4H5F3O2 (molecular weight 142.08), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 406-93-9
Its molecular formula C4H5F3O2 comprises 4 C, 5 H, 3 F, 2 O atoms.
Also known as: 4,4,4-trifluorobutyric acid · 4,4,4-三氟丁酸
Category: organic chemicals
The CAS registry number of 4,4,4-trifluorobutyric acid is 406-93-9.
Molecular formula C4H5F3O2, molecular weight 142.08.
It is also registered under: 4,4,4-trifluorobutyric acid, 4,4,4-三氟丁酸.
Category: Organic Chemicals.
Public-database records for 4,4,4-trifluorobutyric acid (CAS 406-93-9), reproduced here for independent cross-checking.
| Reported hazard statements | H314 (100%) |
|---|
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
| CAS Registry Number | 406-93-9 |
|---|---|
| PubChem CID | 2777085 |
| 分子式 | C4H5F3O2 |
| IUPAC 名称 | 4,4,4-trifluorobutanoic acid |
406-93-9; 4,4,4-trifluorobutanoic acid; RefChem:506989; 670-541-0; 4,4,4-Trifluorobutyric Acid; BUTANOIC ACID, 4,4,4-TRIFLUORO-; 4,4,4-trifluoro-butyric acid; C4H5F3O2; MFCD00077604; 4,4,4-TrifluorobutyricAcid; 4,4,4 trifluorobutyric acid; EF10052; TrFCAs n=2; SCHEMBL38157; trifluoropropylcarboxylic acid; SCHEMBL503581
| 分子量 | 142.08 |
|---|---|
| XLogP3 | 1.2 |
| 氢键供体数 | 1 |
| 氢键受体数 | 5 |
| 可旋转键数 | 2 |
| 精确质量 | 142.02416388 |
| 单同位素质量 | 142.02416388 |
| 拓扑极性表面积 | 37.3 |
| 重原子数 | 9 |
| 形式电荷 | 0 |
4,4,4-trifluorobutyric acid · CAS 406-93-9 · C4H5F3O2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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