2-Chloro-5-nitrophenyl isothiocyanate CAS 57135-68-9
| CAS No. | 57135-68-9 |
| Molecular Formula | C7H3ClN2O2S |
| Molecular Weight | 214.63 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 214.63 g/mol gives 2-Chloro-5-nitrophenyl isothiocyanate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-Chloro-5-nitrophenyl isothiocyanate (CAS 57135-68-9), molecular formula C7H3ClN2O2S and molecular weight 214.63 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system, 2-Chloro-5-nitrophenyl isothiocyanate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 214.63 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
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 | C7H3ClN2O2S |
| Molecular Weight | 214.63 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1973 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Chloro Standards
- 5-chloro-4-nitro-1,3-benzothiazole (CAS 1087792-31-1)
- 4-Chloro-3-nitrophenyl isothiocyanate (CAS 127142-66-9)
- 1-Chloro-2-nitro-4-thiocyanatobenzene (CAS 89642-54-6)
- 1-Chloro-3-diethoxyphosphoryl-propane (CAS 23269-98-9)
- 2-Chloro-4-nitrobenzothiazole (CAS 3507-30-0)
- 2-chloro-5-nitrobenzo[d]thiazole (CAS 3622-38-6)
- 2-Chloro-6-nitrobenzothiazole (CAS 2407-11-6)
- 2-Chloro-7-nitro-1,3-benzothiazole (CAS 2942-22-5)
Recommended Standards
- 4-Chloro-5-nitrobenzo[d]thiazole (CAS 2411087-55-1)
- 4-Chlorothieno[2,3-d]pyrimidine-6-carboxylic Acid (CAS 86825-96-9)
- 2-Chlorothieno[2,3-b]pyrazine-7-carboxylic acid (CAS 1812188-70-7)
- 4-Chlorothieno[3,2-d]pyrimidine-6-carboxylic Acid (CAS 875515-76-7)
- 1-N-[(3S)-2-oxooxolan-3-yl]benzene-1,4-disulfonamide (CAS 1258701-14-2)
- 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-tosyl-1H-pyrazole (CAS 1391835-53-2)
- Methyl 3-((2-aminoethyl)thio)propanoate hydrochloride (CAS 406684-00-2)
- 5-Cyclopropylthiazolo[4,5-d]pyrimidine-2-thiol (CAS 1391726-10-5)
- AZD3759 (CAS 1626387-80-1)
- Vitexin 2''-glucoside (CAS 61360-94-9)
- 4-Ethyl-5-(1-methyl-3-(trifluoromethyl)-1h-pyrazol-5-yl)-4h-1,2,4-triazole-3-thiol (CAS 1001559-40-5)
- 3-(4-Bromophenyl)-5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)-4-(1H-imidazol-1-yl)-4,5-dihydro-1H-pyrazole (CAS 496785-20-7)
- 2'-Fluoro-4'-methyl-[1,1'-biphenyl]-4-carbaldehyde (CAS 1255638-08-4)
- Semaglutide impurity 227 (CAS CATO-C4X-2226227)
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