isopropyl trifluoroacetate (CAS 400-38-4) — formula C5H7F3O2, molecular weight 156.10; category organic chemicals.
isopropyl trifluoroacetate is a carbon-based organic compound with CAS registry number 400-38-4 and molecular formula C5H7F3O2 (molecular weight 156.10), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 400-38-4
Its molecular formula C5H7F3O2 comprises 5 C, 7 H, 3 F, 2 O atoms.
Also known as: isopropyl trifluoroacetate
Category: organic chemicals
The CAS registry number of isopropyl trifluoroacetate is 400-38-4.
Molecular formula C5H7F3O2, molecular weight 156.10.
It is also registered under: isopropyl trifluoroacetate.
Category: Organic Chemicals.
Public-database records for isopropyl trifluoroacetate (CAS 400-38-4), reproduced here for independent cross-checking.
| Reported hazard statements | H225 (100%), H314 (98%), H335 (87.8%) |
|---|
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
H314 (98%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
| CAS Registry Number | 400-38-4 |
|---|---|
| PubChem CID | 78998 |
| 分子式 | C5H7F3O2 |
| IUPAC 名称 | propan-2-yl 2,2,2-trifluoroacetate |
| UNII（FDA） | NS00030710 |
Isopropyl trifluoroacetate; 400-38-4; Acetic acid, trifluoro-, 1-methylethyl ester; EINECS 206-922-1; DTXSID80193060; Trifluoroacetic acid, isopropyl ester; RefChem:149845; DTXCID90115551; 206-922-1; ASAXRKSDVDALDT-UHFFFAOYSA-N; isopropyltrifluoroacetate; propan-2-yl 2,2,2-trifluoroacetate; iso-propyl trifluoroacetate; Trifluoroacetic Acid Isopropyl Ester; MFCD00013566; Isopropyl 2,2,2-trifluoroacetate
| 分子量 | 156.10 |
|---|---|
| XLogP3 | 2 |
| 氢键供体数 | 0 |
| 氢键受体数 | 5 |
| 可旋转键数 | 2 |
| 精确质量 | 156.03981395 |
| 单同位素质量 | 156.03981395 |
| 拓扑极性表面积 | 26.3 |
| 重原子数 | 10 |
| 形式电荷 | 0 |
isopropyl trifluoroacetate · CAS 400-38-4 · C5H7F3O2. UNII NS00030710.
Source: PubChem / Wikidata; the batch COA governs where values differ.
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