3-Chloro-2,6-dibromo-4-fluorophenyl isothiocyanate CAS 1000572-48-4
| CAS No. | 1000572-48-4 |
| Molecular Formula | C7HBr2ClFNS |
| Molecular Weight | 345.41 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
3-Chloro-2,6-dibromo-4-fluorophenyl isothiocyanate (CAS 1000572-48-4) is a high-purity analytical reference standard with the molecular formula C7HBr2ClFNS and a molecular weight of 345.41 g/mol.
3-Chloro-2,6-dibromo-4-fluorophenyl isothiocyanate (C7HBr2ClFNS) contains a nitrile group, sulfur-containing functionality, fluorine/chlorine/bromine substitution, an aromatic ring system. Halogen substitution raises its density and boiling point; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C7HBr2ClFNS |
| Molecular Weight | 345.41 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | F/Cl/Br-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Chloro Standards
- 4-Chloro-2,6-dibromo-3-fluorophenylisothiocyanate (CAS 1000573-21-6)
- 3-Chloro-5-(2,2,2-trichloroacetyl)-1h-pyrrole-2-sulfonyl chloride (CAS 930395-76-9)
- 4-(3-Chloro-1-adamantyl)benzenesulfonyl chloride (CAS 1354356-42-5)
- 3-Chloro-4-(4-iodophenoxy)aniline (CAS 84865-98-5)
- 2-Chloro-N-(3,4-dichlorophenyl)-4-nitrobenzamide (CAS 328258-81-7)
- 2-Chloro-N-(3,5-dichlorophenyl)-4-nitrobenzamide (CAS 328258-86-2)
- 4-Chloro-N-(2,5-dichlorophenyl)-3-nitrobenzamide (CAS 91822-09-2)
- 4-Chloro-n-ethyl-2-iodobenzenesulfonamide (CAS 271796-67-9)
Recommended Standards
- Tucatinib Impurity 17 (CAS CATO-C4X-260517)
- Tofacitinib Impurity 58 (CAS CATO-C4X-107958)
- 2-(2,5-Dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (CAS 1008267-37-5)
- Ibrutinib Impurity 144 (CAS CATO-C4X-1064144)
- 3,6-Dibromo-2-fluorophenol (CAS 1803817-30-2)
- (S)-1-(4-fluorophenyl)ethan-1-amine hydrochloride (CAS 1419073-74-7)
- (S)-(1-(2-Aminoethyl)pyrrolidin-2-yl)methanol (CAS 115531-70-9)
- 3-(4-Methoxybenzylidene)pyrrolidin-2-one (CAS 1859-45-6)
- 3-Ethoxyspiro[3.4]octan-1-ol (CAS 1334149-61-9)
- 3-(3-Bromo-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol (CAS 1519427-23-6)
- Etomidate-d5 (CAS CATO-C4X-188451)
- 3-Fluoro-4-methoxy-2-(methylthio)aniline (CAS 2586127-54-8)
- (R)-N-Methyl-1-cyclohexyl-2,2,2-trifluoroethylamine (CAS 1389310-39-7)
- Neuroendocrine Regulatory Peptide-1 (human) (H-6622.1000) (CAS 954420-50-9)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com