3-(2-Cyanopropan-2-yl)benzenesulfonyl chloride CAS 2091771-57-0
| CAS No. | 2091771-57-0 |
| Molecular Formula | C10H10ClNO2S |
| Molecular Weight | 243.71 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-(2-Cyanopropan-2-yl)benzenesulfonyl chloride (CAS 2091771-57-0), molecular formula C10H10ClNO2S and molecular weight 243.71 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-(2-Cyanopropan-2-yl)benzenesulfonyl chloride (C10H10ClNO2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. 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 243.71 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C10H10ClNO2S |
| Molecular Weight | 243.71 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; 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.) | 1997 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Cyanopropan Standards
- Bis(2-cyanopropan-2-yl) carbonotrithioate (CAS 2748667-48-1)
- n-(1-Cyanopropan-2-yl)-3-methylbenzenesulfonamide (CAS 1241311-92-1)
- n-(1-Cyanopropan-2-yl)-3-ethyl-N-methylthiophene-2-carboxamide (CAS 1333725-11-3)
- 4-[(2-Cyanopropan-2-yl)amino]-2-fluoro-N-methylbenzamide (CAS 915087-32-0)
- 4-(2-Cyanopropan-2-yl)-2-ethoxybenzoic acid (CAS 1086398-40-4)
- Methyl 3-(2-cyanopropan-2-yl)-4-methoxybenzoate (CAS 1191944-14-5)
- n-(4-(2-Cyanopropan-2-yl)phenyl)-2-methoxyacetamide (CAS 1209795-22-1)
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Recommended Standards
- 3-((4-Chlorophenyl)amino)-2,3-dihydrothiophene 1,1-dioxide (CAS 39565-75-8)
- 4-Chloro-2-fluorophenyl 3-piperidinylmethyl ether (CAS 946680-45-1)
- 2-Chloro-n-[1-(4-fluorophenyl)-2-methylpropyl]acetamide (CAS 950101-34-5)
- 4-Chloro-2-fluorophenyl 4-piperidinylmethyl ether hydrochloride (CAS 946680-87-1)
- 4-(1<I>H</I>Tetrazol-5-yl)phenylboronic acid (CAS 179942-55-3)
- 3-((2-Amino-4-chlorophenyl)amino)-5,5-dimethylcyclohex-2-en-1-one (CAS 39222-71-4)
- 2-((3,4-Dibromophenyl)amino)-1H-purin-6(9H)-one (CAS 123994-76-3)
- (E)-(7-Hydroxyhept-1-en-1-yl)boronic acid (CAS 144446-57-1)
- Ethyl 2-(2-bromo-4-cyano-5-methoxyphenyl)acetate (CAS 1804402-10-5)
- 7-Chloro-5-phenylpyrazolo[1,5-a]pyrimidine (CAS 33149-25-6)
- (S)-heptan-2-amine hydrochloride (CAS 1202543-58-5)
- 3-(5-cyano-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)propanoic acid (CAS 18528-07-9)
- Empagliflozin Impurity 49 (CAS 1279691-35-8)
- Peptide Impurity 05 (CAS 2322924-83-2)
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