4,4,4-Trifluoro-3-methyl-but-2-enoic acid methyl ester CAS 671-82-9
| CAS No. | 671-82-9 |
| Molecular Formula | C6H7F3O2 |
| Molecular Weight | 168.11 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4,4,4-Trifluoro-3-methyl-but-2-enoic acid methyl ester is closely related to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4,4,4-Trifluoro-3-methyl-but-2-enoic acid methyl ester (CAS 671-82-9), molecular formula C6H7F3O2 and molecular weight 168.11 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, 4,4,4-Trifluoro-3-methyl-but-2-enoic acid methyl ester is typically white to off-white crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 168.11 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C6H7F3O2 |
| Molecular Weight | 168.11 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1957 |
| Halogen Content | F-containing |
Related Trifluoro Standards
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- 1,1,1-Trifluoro-4-methoxy-,(3e)-3-penten-2-one (CAS 135351-20-1)
- 1,1,1-Trifluoro-3-methylpentane-2,4-dione (CAS 360-82-7)
- 2,2,2-Trifluoro-1-(tetrahydrofuran-2-yl)ethan-1-one (CAS 2090295-28-4)
- 2,2,2-trifluoro-1-(1H-pyrazol-4-yl)ethan-1-one (CAS 161957-47-7)
- 1,1,1-Trifluoro-5-methylhexan-2-one (CAS 1275460-51-9)
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Recommended Standards
- 4-(5-Amino-1,3,4-oxadiazol-2-yl)-1,2,5-oxadiazol-3-amine (CAS 380590-45-4)
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- 3-Nitropyridine-2-carboxylic Acid (CAS 59290-85-6)
- 6-Nitronicotinic Acid (CAS 33225-73-9)
- 4-(3,5-dimethoxybenzamido)-2-hydroxybenzoic acid (CAS 710311-03-8)
- 1-(3-Chloro-4-fluorophenyl)-3-oxocyclobutanecarbonitrile (CAS 1432051-12-1)
- 1-Tert-butyl-5-methyl-1h-pyrazol-4-amine (CAS 1251278-98-4)
- Alboctalol (CAS 62394-00-7)
- 2-Undecanone (CAS 112-12-9)
- 9,10-Dihydro-β-ergocryptine (CAS 19467-62-0)
- (5-methoxy-1-methyl-1H-1,3-benzodiazol-2-yl)methanamine (CAS 1017357-82-2)
- 4-Amino-3-chlorobenzenethiol (CAS 1122-40-3)
- 1-Methyl-1,2-epoxycyclohexane (CAS 1713-33-3)
- Neuropeptide Y (2-36) (human, rat) trifluoroacetate salt (CAS 123139-39-9)
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