(3,5-Bis(trifluoromethyl)phenyl)methanesulfonylchloride CAS 400770-85-6
| CAS No. | 400770-85-6 |
| Molecular Formula | C9H5ClF6O2S |
| Molecular Weight | 326.64 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 (3,5-Bis(trifluoromethyl)phenyl)methanesulfonylchloride.
(3,5-Bis(trifluoromethyl)phenyl)methanesulfonylchloride (CAS 400770-85-6) is a high-purity analytical reference standard with the molecular formula C9H5ClF6O2S and a molecular weight of 326.64 g/mol.
Structurally, (3,5-Bis(trifluoromethyl)phenyl)methanesulfonylchloride (C9H5ClF6O2S) contains a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 326.64 g/mol, it falls into the moderately-high-molecular-weight range. 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 | C9H5ClF6O2S |
| Molecular Weight | 326.64 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature |
| 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) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Sulfur Atoms | 1 |
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- Methyl 3-(((3-(trifluoromethyl)phenyl)thio)methyl)benzoate (CAS 650617-47-3)
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Recommended Standards
- 2-Bromo-5-chloro-N-isopropyl-4-methylbenzenesulfonamide (CAS 1246821-20-4)
- (3-Chloro-4-(3-(4-ethylpiperazin-1-yl)propoxy)phenyl)boronic acid (CAS 1704081-47-9)
- 2-(6-Chloro-3-pyridyl)-5-[5-(trifluoromethyl)-2-pyridyl]-1,3,4-oxadiazole (CAS 265307-78-6)
- 5-{[4-chloro-3,5-bis(difluoromethyl)-1h-pyrazol-1-yl]methyl}furan-2-carboxylic acid (CAS 1005583-72-1)
- (7-Chloro-2-methyl-1H-indol-3-yl)-acetic acid (CAS 25177-74-6)
- 7-Chloro-5-iodo-1H-indazole (CAS 1000343-56-5)
- Diethyl 7-fluoroquinoline-2,3-dicarboxylate (CAS 948290-82-2)
- Methyl 5-chloro-2-ethynylbenzoate (CAS 942273-26-9)
- 4-Fluoro-2-nitro-1-(pentan-3-yloxy)benzene (CAS 1233955-77-5)
- 1-Chloro-5-(chloromethyl)-2,4-dimethoxybenzene (CAS 1519718-43-4)
- 2-(3-Methyl-2,4,5-trioxoimidazolidin-1-yl)acetic acid (CAS 128043-82-3)
- 2-[(1E)-3-Nitroprop-1-en-1-yl]furan (CAS 1195355-74-8)
- 2-(3-Phenyl-2,1-benzisoxazol-5-yl)-2H-tetrazole-5-carboxylic Acid (CAS 951896-38-1)
- Delicious Peptide (bovine) (CAS 73984-05-1)
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