4-Chloro-3-fluorophenyl isothiocyanate CAS 597545-17-0
| CAS No. | 597545-17-0 |
| Molecular Formula | C7H3ClFNS |
| Molecular Weight | 187.62 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
4-Chloro-3-fluorophenyl isothiocyanate (CAS 597545-17-0) is a high-purity analytical reference standard with the molecular formula C7H3ClFNS and a molecular weight of 187.62 g/mol.
The molecular framework of 4-Chloro-3-fluorophenyl isothiocyanate (C7H3ClFNS) is characterized by a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution, an aromatic ring system. 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.
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-Chloro-3-fluorophenyl isothiocyanate 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 | C7H3ClFNS |
| Molecular Weight | 187.62 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| 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.) | 1984 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Chloro Standards
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Recommended Standards
- 4-Chloro-3,5-dimethoxyaniline (CAS 226419-21-2)
- 5-Butylisoxazole-4-carbonyl chloride (CAS 75706-00-2)
- 4-Chloro-2-fluorophenyl isothiocyanate (CAS 68034-69-5)
- 5-Chloro-1-(oxazol-2-yl)pentan-1-one (CAS 898758-80-0)
- Methyl D-phenylalanylglycinate (CAS 5184-18-9)
- 1-Allyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole (CAS 439813-85-1)
- N-Butyl-1-(4-fluorophenyl)-4-methoxy-6-oxo-1,6-dihydropyridazine-3-carboxamide (CAS 921792-22-5)
- N-Hydroxy-2,3-dimethoxybenzamide (CAS 343773-22-8)
- 2-(5-Chloro-2-thiazolyl)acetonitrile (CAS 1289083-12-0)
- (3-Chloro-5-(trifluoromethoxy)phenyl)boronic acid (CAS 1451393-40-0)
- (1r)-1-(2-Fluoropyridin-3-yl)ethan-1-amine hydrochloride (CAS 1391351-76-0)
- 3-((3-Nitropyridin-2-yl)thio)aniline (CAS 1415719-68-4)
- Cytarabine Impurity 29 (CAS CATO-C4X-200529)
- Crustacean Cardioactive Peptide (CCAP) (CAS 309247-84-5)
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