3-Chlorobenzene-1-sulfonyl isocyanate CAS 68984-05-4
| CAS No. | 68984-05-4 |
| Molecular Formula | C7H4ClNO3S |
| Molecular Weight | 217.63 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-Chlorobenzene-1-sulfonyl isocyanate (CAS 68984-05-4), molecular formula C7H4ClNO3S and molecular weight 217.63 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-Chlorobenzene-1-sulfonyl isocyanate (C7H4ClNO3S) contains an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 217.63 g/mol, it falls into the medium-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
CATO manufactures 3-Chlorobenzene-1-sulfonyl isocyanate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C7H4ClNO3S |
| Molecular Weight | 217.63 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 methanol, ethanol, DMSO, water |
| 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.) | 1976 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Chlorobenzene Standards
- 4-chlorobenzene-1-sulfonyl azide (CAS 4547-68-6)
- Ethyl 4-chlorobenzene-1-sulfonate (CAS 20443-71-4)
- 4-Chlorobenzene-sulfonmethyl-ester (CAS 15481-45-5)
- 5-acetyl-2-chlorobenzene-1-sulfonamide (CAS 2350-44-9)
- P-Chlorobenzene Arsonic Acid (CAS 5440-04-0)
- 2-Chlorobenzene-1,3,5-tricarbaldehyde (CAS 102626-20-0)
- 4-Chlorobenzene-d (CAS 544686-14-8)
- 2-Chlorobenzene-1-sulfinyl chloride (CAS 1852086-12-4)
Recommended Standards
- 2-Chlorobenzenesulfonylisocyanate (CAS 64900-65-8)
- 4-(2-Chloro-5-fluoro-4-pyrimidinyl)morpholine (CAS 31646-53-4)
- 2-((3-Chloro-4-fluorophenyl)amino)acetohydrazide (CAS 2370-44-7)
- 1H-Benzotriazole-6-sulfonyl Chloride (CAS 70938-45-3)
- Sodium 5-amino-1,4-dioxo-3,4-dihydro-1H-phthalazin-2-ide hydrate(2:2:1) (CAS 206658-90-4)
- 2,4-Difluoro-3-methoxybenzonitrile (CAS 220353-20-8)
- 4-(4-Chloro-6-(trifluoromethyl)pyrimidin-2-yl)morpholine (CAS 1023818-56-5)
- N,N-dimethyl-2-(piperidin-4-yl)acetamide hydrochloride (CAS 1443980-79-7)
- Carbonylchlorobis(triphenylphosphine)iridium(I) (CAS 14871-41-1)
- (S)-3-(4-Hydroxy-1-oxoisoindolin-2-yl)-3-methylpiperidine-2,6-dione (CAS 1323408-31-6)
- 5-Methoxy-3,3'-bipyridine (CAS 1190645-04-5)
- Tadalafil Impurity 48 (CAS CATO-C4X-108748)
- 4-methoxybicyclo[2.2.2]octane-1-carbaldehyde (CAS 94994-28-2)
- Tau Peptide (306-336) (Repeat 3 Domain) trifluoroacetate salt (CAS 330456-26-3)
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