4-(Aminomethyl)-2-cyano-6-(trifluoromethoxy)benzene-1-sulfonyl chloride CAS 1807018-76-3
| CAS No. | 1807018-76-3 |
| Molecular Formula | C9H6ClF3N2O3S |
| Molecular Weight | 314.67 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 4-(Aminomethyl)-2-cyano-6-(trifluoromethoxy)benzene-1-sulfonyl chloride.
4-(Aminomethyl)-2-cyano-6-(trifluoromethoxy)benzene-1-sulfonyl chloride (CAS 1807018-76-3), molecular formula C9H6ClF3N2O3S and molecular weight 314.67 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C9H6ClF3N2O3S, 4-(Aminomethyl)-2-cyano-6-(trifluoromethoxy)benzene-1-sulfonyl chloride contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 314.67 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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), 4-(Aminomethyl)-2-cyano-6-(trifluoromethoxy)benzene-1-sulfonyl chloride 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 | C9H6ClF3N2O3S |
| Molecular Weight | 314.67 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Aminomethyl Standards
- 4-(Aminomethyl)-5-cyano-2-(trifluoromethoxy)benzene-1-sulfonyl chloride (CAS 1807089-48-0)
- 4-(Aminomethyl)-2-cyano-5-(trifluoromethoxy)benzene-1-sulfonyl chloride (CAS 1807113-76-3)
- 5-(Aminomethyl)-3-(4-(3-fluorophenethyl)phenyl)oxazolidin-2-one (CAS 84459-89-2)
- 2-(Aminomethyl)-3-(difluoromethyl)-6-iodo-5-methoxypyridine (CAS 1805088-06-5)
- 2-(Aminomethyl)-6-(difluoromethyl)-4-iodo-3-methoxypyridine (CAS 1805088-35-0)
- 2-(Aminomethyl)-3-(difluoromethyl)-5-iodo-4-methoxypyridine (CAS 1805092-47-0)
- 2-(Aminomethyl)-4-(difluoromethyl)-6-iodopyridine-3-methanol (CAS 1805197-05-0)
- 2-(Aminomethyl)-5-(difluoromethyl)-6-iodopyridine-3-methanol (CAS 1805264-17-8)
Recommended Standards
- 4-CHLORO-2-(4-FLUOROPHENYL)-5-(TRIFLUOROMETHYL)-1H-PYRROLO[2,3-B]PYRIDINE (CAS 1420885-98-8)
- 2-Methyl-5-(3-(trifluoromethyl)-1H-pyrazol-5-yl)furan-3-sulfonyl chloride (CAS 1287752-71-9)
- tert-Butyl (6-chloro-5-fluoro-4-(trifluoromethyl)pyridin-3-yl)carbamate (CAS 2412515-91-2)
- 2-(2-Chloro-4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine (CAS 372122-57-1)
- 1-(Tert-butyl) 2-methyl (2S,4S)-4-(3-chloro-4-formylphenoxy)pyrrolidine-1,2-dicarboxylate (CAS 2442510-17-8)
- 2-(4-Bromophenyl)dihydrothiophen-3(2H)-one (CAS 1392214-07-1)
- Methyl 2,6-dimethyl-4-propoxybenzoate (CAS 1369403-94-0)
- 5-Isopropoxy-1-methyl-1H-pyrazole-3-carboxylic acid (CAS 1239783-91-5)
- (S)-5-tert-Butyl 6-methyl 2-iodo-6,7-dihydro-3H-imidazo[4,5-c]pyridine-5,6(4H)-dicarboxylate (CAS 2243987-12-2)
- 1-(3-Mercapto)propyl-3,5,7,9,11,13,15-isobutylpentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane 480438-85-5 Mercaptopropylisobutyl-POSS® POSS®-Mercaptopropyl-isobutyl substituted PSS-(3-Mercapto)propyl-Heptaisobutyl substituted (CAS 480438-85-5)
- 3-(Morpholinomethyl)bicyclo[1.1.1]Pentan-1-amine (CAS 2303047-83-6)
- 2-METHYL-2-(4-PHENYLTHIAZOL-2-YL)PROPAN-1-AMINE (CAS 1314892-03-9)
- 5-Fluoro-1-(tetrahydro-2H-pyran-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-1,2,3-triazole (CAS 2364573-06-6)
- CBP501 Affinity Peptide trifluoroacetate salt (CAS 1351804-17-5)
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