3-[(3,4-difluorophenyl)thio]propanoic acid CAS 863667-96-3
| CAS No. | 863667-96-3 |
| Molecular Formula | C9H8F2O2S |
| Molecular Weight | 218.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
3-[(3,4-difluorophenyl)thio]propanoic acid (CAS 863667-96-3), molecular formula C9H8F2O2S and molecular weight 218.22 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-[(3,4-difluorophenyl)thio]propanoic acid (C9H8F2O2S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 218.22 g/mol, it falls into the medium-molecular-weight range. 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.
As a certified reference material (CRM), 3-[(3,4-difluorophenyl)thio]propanoic acid meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C9H8F2O2S |
| Molecular Weight | 218.22 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
Related difluorophenyl Standards
- 2-[(3,4-difluorophenyl)sulfanyl]propanoic acid (CAS 926213-05-0)
- 3-[(2,5-difluorophenyl)sulfanyl]propanoic acid (CAS 926232-57-7)
- 2-(2,4-Difluorophenyl)benzaldehyde (CAS 1183323-64-9)
- 1-(3,4-Difluorophenyl)-2,2-dimethoxyethan-1-ol (CAS 1461708-78-0)
- (3,5-Difluorophenyl)(phenyl)methanone (CAS 179113-89-4)
- (2,5-Difluorophenyl)(phenyl)methanone (CAS 85068-36-6)
- (2,6-Difluorophenyl)(phenyl)methanone (CAS 59189-51-4)
- (3,4-Difluorophenyl)(phenyl)methanone (CAS 85118-07-6)
Recommended Standards
- 4-((Dimethylamino)methyl)-3-(trifluoromethyl)aniline (CAS 853297-25-3)
- 3-(4-fluoronaphthalen-1-yl)propanoic acid (CAS 2059956-15-7)
- 4-(1-Amino-2,2,2-trifluoroethyl)-N,N-dimethylaniline (CAS 511522-41-1)
- 3-(4-Ethylphenyl)-1,1,1-trifluoropropan-2-ol (CAS 943904-02-7)
- 9-cis-Retinyl Oleate (CAS 79433-57-1)
- Catharanthine (CAS 2468-21-5)
- (R,S)-O-PINAP (CAS 828927-94-2)
- Ketoprofen Impurity 58 (CAS CATO-C4X-147158)
- 4-Bromo-2-(N-Boc-aminomethyl)thiophene (CAS 479090-39-6)
- N-(2-Methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)acetamide (CAS 1257553-92-6)
- 2-(m-Tolyl)thiazolidine (CAS 75808-94-5)
- 4,4,4-Trifluoro-2-butynoic Acid Methyl Ester (CAS 70577-95-6)
- 4-Amino-6-cyano-3-(difluoromethyl)picolinic acid (CAS 1806813-44-4)
- Semaglutide impurity 101 (CAS CATO-C4X-2226101)
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