1-(3-Fluorophenyl)butane-1,3-dione CAS 76691-35-5
| CAS No. | 76691-35-5 |
| Molecular Formula | C10H9FO2 |
| Molecular Weight | 180.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 1-(3-Fluorophenyl)butane-1,3-dione.
1-(3-Fluorophenyl)butane-1,3-dione (CAS 76691-35-5), molecular formula C10H9FO2 and molecular weight 180.18 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 1-(3-Fluorophenyl)butane-1,3-dione (C10H9FO2) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C10H9FO2 |
| Molecular Weight | 180.18 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1978 |
| Halogen Content | F-containing |
Related Fluorophenyl Standards
- 3-(2-fluorophenyl)but-2-enoic acid (CAS 1130-95-6)
- 2-(3-Fluorophenyl)cyclopropanecarboxylic Acid (CAS 1157561-41-5)
- 1-(2-Fluorophenyl)imidazolidin-2-one (CAS 1190281-65-2)
- 3-(4-fluorophenyl)but-2-enoic acid (CAS 1201-86-1)
- (E)-4-(4-Fluorophenyl)but-3-enoic acid (CAS 127404-66-4)
- 4-(3-Fluorophenyl)but-3-enoic acid (CAS 127404-67-5)
- (E)-4-(2-fluorophenyl)but-3-enoic acid (CAS 127406-53-5)
- 1-(2-Fluorophenyl)-1,3-butanedione (CAS 131513-64-9)
Recommended Standards
- [1,3]Thiazolo[5,4-b]pyridine-2-carboxylic acid (CAS 857969-93-8)
- 1-(3-Fluorophenyl)cyclopropanecarboxylic Acid (CAS 248588-33-2)
- (S)-6-fluoro-3-methyl-3,4-dihydroquinoxalin-2(1H)-one (CAS 874216-80-5)
- 1-(4-Fluorophenyl)-3-hydroxy-2-methylprop-2-en-1-one (CAS 65201-51-6)
- (1R)-2,2',3,3'-Tetrahydro-6,6'-diphenyl-1,1'-spirobi[1H-indene]-7,7'-diol (CAS 930784-55-7)
- 2-(5-(3-Methoxyphenyl)-1,3,4-oxadiazol-2-yl)aniline (CAS 159222-58-9)
- (R)-Benzyl 3-benzylpiperazine-1-carboxylate hydrochloride (CAS 1217753-37-1)
- m-Xylenes（xylene isomer and ethyl benzene） (CAS 1330-20-7)
- (3R,4R)-1-Benzyl-3,4-dihydroxypyrrolidine-2,5-dione (CAS 75172-31-5)
- 5-(trifluoromethyl)-1,2,4-triazin-3-amine (CAS 425378-65-0)
- 2-(Dimethylamino)-6,8-dimethyl-4H-benzo[d][1,3]oxazin-4-one (CAS 866038-52-0)
- 4-(Difluoromethyl)-2-hydroxy-6-methoxynicotinic acid (CAS 1805602-20-3)
- 1-(6-chloropyridin-3-yl)-3-methylthiourea (CAS 131748-90-8)
- Tirzepatide Impurity 36 (CAS CATO-C4X-324036)
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