2-(3H-Benzothiazol-2-ylidene)-4-chloro-3-oxo-butyronitrile CAS 307975-77-5
| CAS No. | 307975-77-5 |
| Molecular Formula | C11H7ClN2OS |
| Molecular Weight | 250.70 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-(3H-Benzothiazol-2-ylidene)-4-chloro-3-oxo-butyronitrile is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 2-(3H-Benzothiazol-2-ylidene)-4-chloro-3-oxo-butyronitrile (CAS 307975-77-5), a certified reference material (molecular formula C11H7ClN2OS, MW 250.70 g/mol) for analytical method development and quality control.
Based on its molecular formula C11H7ClN2OS, 2-(3H-Benzothiazol-2-ylidene)-4-chloro-3-oxo-butyronitrile contains a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 250.70 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
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 | C11H7ClN2OS |
| Molecular Weight | 250.70 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, 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 |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related H Standards
- Methyl 4-[(1,3-benzothiazol-2-yl)amino]butanoate (CAS 612527-80-7)
- 2-(1,3-Benzothiazol-2-ylthio)-1-cyclopropylethanone (CAS 337488-10-5)
- 1-(1,3-Benzothiazol-2-yl)-2,2,2-trifluoroethane-1,1-diol (CAS 1033591-96-6)
- (2E)-2-(1,3-benzothiazol-2-yl)-4-chloro-3-methylbut-2-enenitrile (CAS 735342-48-0)
- 4-(Benzothiazol-2-ylamino)-cyclohexanol (CAS 1261230-52-7)
- [1-(1,3-Benzothiazol-2-yl)piperidin-4-yl]methanol (CAS 137309-95-6)
- 5-Benzothiazol-2-ylmethyl-[1,3,4]thiadiazol-2-ylamine (CAS 227177-99-3)
- 1-(6-Methyl-1,3-benzothiazol-2-yl)azetidine-3-carboxylic acid (CAS 1283108-71-3)
Recommended Standards
- 2-((2-Chlorothiazol-5-yl)methoxy)benzonitrile (CAS 860787-01-5)
- 2-(4-Methoxyphenoxy)ethane-1-sulfonyl chloride (CAS 90220-74-9)
- 1-[4-(chloromethyl)phenoxymethyl]-4-fluorobenzene (CAS 613240-41-8)
- 2-(Chloromethyl)-4H-benzo[4,5]thiazolo[3,2-a]pyrimidin-4-one (CAS 62773-11-9)
- 5-aminobenzo[c][2,6]naphthyridine-9-carboxylic acid (CAS 2774613-72-6)
- (S)-5-((amino((tert-butoxycarbonyl)amino)methylene)amino)-2-(((benzyloxy)carbonyl)amino)pentanoic acid (CAS 2601-51-6)
- N-(2-hydroxyethyl)-3-iodo-N-methylbenzamide (CAS 1178947-96-0)
- ethyl 4-chlorothieno[2,3-d]pyrimidine-5-carboxylate (CAS 1216013-63-6)
- 1-[(5-methyl-2-furyl)methyl]-1H-pyrazol-5-amine hydrochloride (CAS 1955505-95-9)
- 2-(3-Bromo-4-methylphenyl)-propan-2-ol (CAS 40180-81-2)
- tert-Butoxycarbonylamino-cyclopropyl-acetic acid (CAS 54256-41-6)
- (3S,4S)-1,3,4,6-Tetrahydroxyhexane-2,5-dione (CAS 1684-29-3)
- 5-(Isopropoxymethyl)-2-isopropyl-5-methyl-1,3-dioxane (CAS 22644-54-8)
- Peptide Impurity (CAS CATO-CPTD788810)
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