2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}benzoic acid CAS 1545-75-1
| CAS No. | 1545-75-1 |
| Molecular Formula | C14H8F3NO4S |
| Molecular Weight | 343.28 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}benzoic acid (C14H8F3NO4S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}benzoic acid (CAS 1545-75-1) is a high-purity analytical reference standard with the molecular formula C14H8F3NO4S and a molecular weight of 343.28 g/mol.
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 | C14H8F3NO4S |
| Molecular Weight | 343.28 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1957 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related nitro Standards
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Recommended Standards
- N-(2-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclohexanecarboxamide (CAS 2575730-58-2)
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- 5-(Methylsulfonyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CAS 2377587-50-1)
- 2,4-Dichloro-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CAS 950661-87-7)
- (6-Methylpyridin-2-yl)(4-propoxyphenyl)methanone (CAS 1187170-47-3)
- 1-(1H-Benzo[d]imidazol-2(3H)-ylidene)propan-2-one (CAS 413609-98-0)
- n-[4-(2-chloropropanoyl)phenyl]-2,2-dimethylpropanamide (CAS 794582-30-2)
- 1-[6-Chloro-4-(trifluoromethyl)-2-pyridyl]piperazine hydrochloride (CAS 1432053-96-7)
- 2,2-Difluoro-N-methylbenzo[d][1,3]dioxol-5-amine (CAS 1021036-78-1)
- 4-{[(3,5-Dimethylphenyl)(methylsulfonyl)amino]methyl}benzoic acid (CAS 1092022-18-8)
- Ethyl 3-Ethynyl-4-Fluorobenzoate (CAS 1263284-56-5)
- 2-Amino-2-propylpentanenitrile (CAS 805181-81-1)
- 4-Bromopyrazolo[1,5-a]pyridin-3-amine (CAS 1505337-09-6)
- Mast Cell Degranulating (MCD) Peptide HR-2 (CAS 80388-04-1)
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