2-(3-Bromothiophen-2-yl)acetonitrile CAS 209796-27-0
| CAS No. | 209796-27-0 |
| Molecular Formula | C6H4BrNS |
| Molecular Weight | 202.07 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
2-(3-Bromothiophen-2-yl)acetonitrile (CAS 209796-27-0), molecular formula C6H4BrNS and molecular weight 202.07 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C6H4BrNS, 2-(3-Bromothiophen-2-yl)acetonitrile contains a nitrile group, sulfur-containing functionality, bromine substitution, an aromatic ring system; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 202.07 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.
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 | C6H4BrNS |
| Molecular Weight | 202.07 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2016 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Bromothiophen Standards
- 2-(2-Bromothiophen-3-yl)acetonitrile (CAS 209796-22-5)
- 2-(5-Bromothiophen-2-yl)acetonitrile (CAS 71637-37-1)
- 2-(3-Bromothiophen-2-yl)acetaldehyde (CAS 1339000-84-8)
- 2-(4-Bromothiophen-2-yl)acetaldehyde (CAS 1343173-36-3)
- 1-(2-Bromothiophen-3-yl)ethanone (CAS 137272-68-5)
- 2-(4-Bromothiophen-2-yl)oxirane (CAS 1485632-69-6)
- 2-(5-Bromothiophen-3-yl)acetaldehyde (CAS 1857155-77-1)
- 2-(5-Bromothiophen-2-yl)acetaldehyde (CAS 722536-02-9)
Recommended Standards
- 1-bromo-N,N-dimethylmethanesulfonamide (CAS 51270-39-4)
- 3-(Bromomethyl)thiophene-2-carbonitrile (CAS 99708-88-0)
- 4-(Bromomethyl)thiophene-2-carbonitrile (CAS 186552-07-8)
- 3-Bromo-5-methylthiophene-2-carbonitrile (CAS 651034-29-6)
- (S)-Butane-1,2,4-triyl tris(4-methylbenzenesulfonate) (CAS 99520-83-9)
- 2-Chloro-3-(pyrrolidin-1-yl)naphthalene-1,4-dione (CAS 59641-25-7)
- Ethyl 1-benzoyl-7-methylpyrrolo[1,2-a]quinoline-3-carboxylate (CAS 302913-62-8)
- UDP-N-acetylglucosamine enolpyruvate (CAS 70222-94-5)
- 4-Chloro-3-nitrobenzaldehyde (CAS 16588-34-4)
- 7-Methoxy-2-methyl-1-oxo-1,2-dihydrobenzo[b][1,6]naphthyridine-4-carbaldehyde (CAS 610277-21-9)
- n-(1-Cyclopropylethyl)-4-methylpyridin-3-amine (CAS 1343916-91-5)
- 7-Ethylhexahydro-1H-pyrazino[1,2-c]pyrimidin-6(2H)-one (CAS 121360-21-2)
- 2-(3-Methylphenyl)-1H-pyrrole (CAS 73794-59-9)
- Semaglutide impurity 39 (CAS CATO-C4X-222639)
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