2-((3-Fluorophenyl)thio)acetic acid CAS 331-55-5
| CAS No. | 331-55-5 |
| Molecular Formula | C8H7FO2S |
| Molecular Weight | 186.20 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, an aromatic ring system, 2-((3-Fluorophenyl)thio)acetic acid is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 186.20 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.
CATO supplies 2-((3-Fluorophenyl)thio)acetic acid (CAS 331-55-5), a certified reference material (molecular formula C8H7FO2S, MW 186.20 g/mol) for analytical method development and quality control.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
As a certified reference material (CRM), 2-((3-Fluorophenyl)thio)acetic 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 | C8H7FO2S |
| Molecular Weight | 186.20 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 | 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.) | 1957 |
| Halogen Content | F-containing |
| Sulfur Atoms | 1 |
Related Fluorophenyl Standards
- [(4-Fluorophenyl)thio]acetic acid (CAS 332-51-4)
- 2-[(2-fluorophenyl)sulfanyl]acetic acid (CAS 705-02-2)
- 4-(2-Fluorophenyl)-1H-pyrrole-3-carbonitrile (CAS 103418-03-7)
- 1-(2-Fluorophenyl)-1H-pyrrole-2-carbonitrile (CAS 136773-60-9)
- 2-(1-(4-Fluorophenyl)ethylidene)malononitrile (CAS 579-48-6)
- 4-(4-Fluorophenyl)-1H-pyrrole-3-carbonitrile (CAS 87388-08-7)
- 1-(2-Fluorophenyl)piperazine (CAS 1011-15-0)
- 2-(4-Fluorophenyl)-2-oxoacetyl chloride (CAS 105457-90-7)
Recommended Standards
- 1-(ethenesulfonyl)-4-fluorobenzene (CAS 28122-14-7)
- 2,3-Difluoro-1-isopropoxy-4-methylbenzene (CAS 2624417-77-0)
- 1-(3,5-Difluorophenyl)-2-methylpropan-2-ol (CAS 868049-73-4)
- 1-(3,4-Difluorophenyl)-2-methylpropan-2-ol (CAS 868049-93-8)
- (3α,5β,7α,12α)-3,7,12-Trihydroxycholan-2,2,3,4,4-d5-24-oic Acid Methyl Ester (CAS 52886-39-2)
- N2,N5-Dibenzoyl-4-oxo-L-ornithine Methyl Ester (CAS 78420-25-4)
- 3-methyl-1-phenyl-5-(quinolin-8-ylthio)-1H-pyrazole-4-carbaldehyde (CAS 1001510-34-4)
- 4.4.4-Trichlorobutylene oxide (CAS 3083-25-8)
- 3-(Dodec-1-en-1-yl)pyrrolidine-2,5-dione (CAS 36117-08-5)
- 5-(4-Amino-1H-pyrazol-1-yl)piperidin-2-one (CAS 1824344-63-9)
- 3,3-Dimethyl-2-phenyl-3,4-dihydrobenzo[e][1,4,2]oxazaphosphinine 2-oxide (CAS 220976-20-5)
- 6'H-Spiro[azetidine-3,5'-imidazo[1,2-a]pyrimidin]-7'(8'H)-one dihydrochloride (CAS 2137832-02-9)
- (2E)-3-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-2-{[3-(trifluoromethyl)phenyl]methanesulfonyl}prop-2-enenitrile (CAS 1024754-35-5)
- Semaglutide impurity 26 (CAS CATO-C4X-222626)
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