(E)-N-(2-(3-methyl-4-nitroisoxazol-5-yl)vinyl)aniline CAS 91397-35-2
| CAS No. | 91397-35-2 |
| Molecular Formula | C12H11N3O3 |
| Molecular Weight | 245.23 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
(E)-N-(2-(3-methyl-4-nitroisoxazol-5-yl)vinyl)aniline (CAS 91397-35-2) is a high-purity analytical reference standard with the molecular formula C12H11N3O3 and a molecular weight of 245.23 g/mol.
Structurally, (E)-N-(2-(3-methyl-4-nitroisoxazol-5-yl)vinyl)aniline (C12H11N3O3) contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 245.23 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.
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.
Physical & Chemical Properties
| Molecular Formula | C12H11N3O3 |
| Molecular Weight | 245.23 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1983 |
| Nitrogen Atoms | 3 |
Recommended Standards
- (E)-3-(3-(benzyloxy)isoxazol-5-yl)acrylic acid (CAS 551921-73-4)
- (Z)-4-((2-Methyl-5-oxooxazol-4(5H)-ylidene)methyl)phenyl acetate (CAS 60470-81-7)
- (7-Amino-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)(furan-2-yl)methanone (CAS 886494-36-6)
- [3-(pyridin-2-yloxy)phenoxy]acetic acid (CAS 950028-97-4)
- 17285-76-6 5-Amino-3-pyridinecarboxylic acid ethyl ester MFCD01087129 (CAS 17285-76-6)
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- 4-Mercaptobenzene-1,2-diol (CAS 27320-22-5)
- 4-Methyl-6-styrylpyrimidin-5-ol (CAS 791539-01-0)
- (2S,5R)-1-Allyl-2,5-dimethylpiperazine (CAS 155836-79-6)
- 5-(3,3-difluorocyclobutyl)-1H-pyrazol-3-amine (CAS 1425931-95-8)
- (5-Chloro-1,3-benzothiazol-2-yl)methanol (CAS 95547-71-0)
- Semaglutide Impurity 161 (x TFA Salt) (CAS CATO-C4X-2226161)
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