4,4,4-Trifluoro-1-phenyl-1,3-butanedione (CAS 326-06-7) — formula C10H7F3O2, molecular weight 216.16; category organic chemicals.
| CAS Number | 326-06-7 |
|---|---|
| Molecular Formula | C10H7F3O2 |
| Molecular Weight | 216.16 |
| LogP | 2.6 |
| Applications | Uses: Can trap reactive metabolites of carcinogens. [ChemIDplus], General Manufacturing Information: 1, 3-Butanedione, 4, 4-trifluoro-1-phenyl-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: Uses: Can trap reactive metabolites of carcinogens. [ChemIDplus], General Manufacturing Information: 1, 3-Butanedione, 4, 4-trifluoro-1-phenyl-: ACTIVE.
4,4,4-Trifluoro-1-phenyl-1,3-butanedione is a carbon-based organic compound with CAS registry number 326-06-7 and molecular formula C10H7F3O2 (molecular weight 216.16), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 326-06-7
Its molecular formula C10H7F3O2 comprises 10 C, 7 H, 3 F, 2 O atoms.
Also known as: 4,4,4-Trifluoro-1-phenyl-1,3-butanedione · Benzoyltrifluoroacetone
Category: organic chemicals
The CAS registry number of 4,4,4-Trifluoro-1-phenyl-1,3-butanedione is 326-06-7.
Molecular formula C10H7F3O2, molecular weight 216.16.
It is also registered under: 4,4,4-Trifluoro-1-phenyl-1,3-butanedione, Benzoyltrifluoroacetone.
Recorded applications: Uses: Can trap reactive metabolites of carcinogens. [ChemIDplus], General Manufacturing Information: 1, 3-Butanedione, 4, 4-trifluoro-1-phenyl-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for 4,4,4-Trifluoro-1-phenyl-1,3-butanedione (CAS 326-06-7), compiled from public chemistry databases.
| CAS Registry Number | 326-06-7 |
|---|---|
| PubChem CID | 67589 |
| Molecular formula | C10H7F3O2 |
| IUPAC name | 4,4,4-trifluoro-1-phenylbutane-1,3-dione |
| UNII (FDA) | V9YSB8JR2P |
| Molecular Weight | 216.16 |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 216.03981395 |
| Monoisotopic Mass | 216.03981395 |
| Topological Polar Surface Area | 34.1 |
| Heavy Atom Count | 15 |
326-06-7; 4,4,4-Trifluoro-1-phenyl-1,3-butanedione; Benzoyl(trifluoroacetyl)methane; 1,3-Butanedione, 4,4,4-trifluoro-1-phenyl-; DTXSID2049268; NSC-42628; V9YSB8JR2P; DTXCID1029124; RefChem:506930; 4,4,4-TFBP; 206-307-8; 4,4,4-Trifluoro-1-phenylbutane-1,3-dione; Benzoyl-1,1,1-trifluoroacetone; Benzoyltrifluoroacetone; 3-Benzoyl-1,1,1-trifluoroacetone; MFCD00000425
| GHS notification summary | 20% (1 / 5) |
|---|
| GHS notification summary | 20% (1 / 5) |
|---|---|
| Reported hazard statements | H302 (40%), H312 (40%), H315 (80%), H319 (80%), H332 (40%), H335 (80%) |
This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.
H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]
4,4,4-Trifluoro-1-phenyl-1,3-butanedione · CAS 326-06-7 · C10H7F3O2. UNII V9YSB8JR2P.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.