1-Isothiocyanato-2,4-dimethylbenzene CAS 71685-97-7
| CAS No. | 71685-97-7 |
| Molecular Formula | C9H9NS |
| Molecular Weight | 163.24 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-Isothiocyanato-2,4-dimethylbenzene is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 1-Isothiocyanato-2,4-dimethylbenzene (CAS 71685-97-7), a certified reference material (molecular formula C9H9NS, MW 163.24 g/mol) for analytical method development and quality control.
Structurally, 1-Isothiocyanato-2,4-dimethylbenzene (C9H9NS) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality. 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 163.24 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures 1-Isothiocyanato-2,4-dimethylbenzene 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 | C9H9NS |
| Molecular Weight | 163.24 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| Stability | 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.) | 1977 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Isothiocyanato Standards
- 1-ethyl-3-isothiocyanato-benzene 1-ethyl-3-isothiocyanatobenzene 19241-20-4 A813570 (CAS 19241-20-4)
- 3-Isothiocyanato-2,6-dimethyl-pyridine (CAS 1048919-76-1)
- 4-Isothiocyanato-2,6-dimethylpyrimidine (CAS 928714-57-2)
- 1-Isothiocyanato-2-methanesulfonylethane (CAS 1086228-14-9)
- 2-Isothiocyanato-6-methoxypyridine (CAS 1103425-81-5)
- 3-Isothiocyanato-2-methoxypyridine (CAS 52023-94-6)
- 5-Isothiocyanato-2-methoxypyridine (CAS 52023-93-5)
- 4-Isothiocyanato-6-methoxypyrimidine (CAS 1192813-23-2)
Recommended Standards
- 1-(thiophen-2-ylmethyl)-1H-pyrrole (CAS 59303-11-6)
- 1-Methyl-1H-indole-2-thiol (CAS 53497-48-6)
- 1-(Thiophen-2-yl)cyclobutane-1-carbonitrile (CAS 28049-65-2)
- 1-Methyl-2-(thiophen-2-yl)-1H-pyrrole (CAS 34671-27-7)
- (1S,2S)-2-(3-phenylpropoxy)cyclopentan-1-amine (CAS 1951372-21-6)
- furan-3-carbonyl azide (CAS 113222-54-1)
- 2-(Benzyloxy)-5-fluoropyridine (CAS 1305322-95-5)
- (4-Nitro-1H-indazol-3-yl)methanol (CAS 1934930-69-4)
- (R)-cyclopropyl(3-fluoro-5-(trifluoromethyl)phenyl)methanamine (CAS 1213692-16-0)
- 1-(3-Chloro-4-methylphenyl)thiourea (CAS 117174-84-2)
- 5-Carbamoyl-1-(4-fluorophenyl)-4,5-dihydro-1h-pyrazole-3-carboxylic acid (CAS 1152880-87-9)
- STF-118804 (CAS 894187-61-2)
- 3-Bromo-5-(trifluoromethyl)benzylamine (CAS 691877-04-0)
- Des-His(1)-Semaglutide (CAS CATO-C4X-2226216)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
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