t-Butyl trifluoroacetate (CAS 400-52-2) — formula C6H9F3O2, molecular weight 170.13; category organic chemicals.
t-Butyl trifluoroacetate (CAS 400-52-2) is a chemical raw material in the organic chemicals category. Its molecular formula C6H9F3O2 comprises 6 C, 9 H, 3 F, 2 O atoms. Its molecular weight is about 170.13. Reported physicochemical data: LogP about 2.2. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 400-52-2 |
|---|---|
| Molecular Formula | C6H9F3O2 |
| Molecular Weight | 170.13 |
| LogP | 2.2 |
| Category | Organic Chemicals |
t-Butyl trifluoroacetate is a carbon-based organic compound with CAS registry number 400-52-2 and molecular formula C6H9F3O2 (molecular weight 170.13), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 400-52-2
Its molecular formula C6H9F3O2 comprises 6 C, 9 H, 3 F, 2 O atoms.
Also known as: t-Butyl trifluoroacetate · 三氟乙酸叔丁酯
Category: organic chemicals
The CAS registry number of t-Butyl trifluoroacetate is 400-52-2.
Molecular formula C6H9F3O2, molecular weight 170.13.
It is also registered under: t-Butyl trifluoroacetate, 三氟乙酸叔丁酯.
Category: Organic Chemicals.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for t-Butyl trifluoroacetate (CAS 400-52-2), compiled from public chemistry databases.
| CAS Registry Number | 400-52-2 |
|---|---|
| PubChem CID | 136244 |
| Molecular formula | C6H9F3O2 |
| IUPAC name | tert-butyl 2,2,2-trifluoroacetate |
| Molecular Weight | 170.13 |
|---|---|
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 170.05546401 |
| Monoisotopic Mass | 170.05546401 |
| Topological Polar Surface Area | 26.3 |
| Heavy Atom Count | 11 |
400-52-2; tert-Butyl trifluoroacetate; Acetic acid, trifluoro-, 1,1-dimethylethyl ester; DTXSID40193061; RefChem:552315; DTXCID50115552; 679-547-8; t-Butyl trifluoroacetate; tert-butyl 2,2,2-trifluoroacetate; t-Butyltrifluoroacetate; MFCD00780927; Acetic acid, trifluoro-, tert-butyl ester; SCHEMBL1714208; Trifluoroacetic Acid tert-Butyl Ester; 1,1-dimethylet; tert-Butyl 2,2,2-trifluoroethanoate
| Reported hazard statements | H225 (50%), H226 (50%), H314 (50%), H318 (50%) |
|---|
H225 (50%): Highly Flammable liquid and vapor [Danger Flammable liquids]
H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]
t-Butyl trifluoroacetate · CAS 400-52-2 · C6H9F3O2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 三氟乙酸叔丁酯