4-((4-Amino-5-(difluoromethyl)-4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzoic acid CAS 1706450-59-0
| CAS No. | 1706450-59-0 |
| Molecular Formula | C10H7F2N5O4S |
| Molecular Weight | 331.26 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 4-((4-Amino-5-(difluoromethyl)-4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzoic acid is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
4-((4-Amino-5-(difluoromethyl)-4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzoic acid (CAS 1706450-59-0) is a high-purity analytical reference standard with the molecular formula C10H7F2N5O4S and a molecular weight of 331.26 g/mol.
Based on its molecular formula C10H7F2N5O4S, 4-((4-Amino-5-(difluoromethyl)-4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzoic acid contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 331.26 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
CATO manufactures 4-((4-Amino-5-(difluoromethyl)-4H-1,2,4-triazol-3-yl)thio)-3-nitrobenzoic acid 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 | C10H7F2N5O4S |
| Molecular Weight | 331.26 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1994 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
Related Amino Standards
- 251307-12-7 5-[2-amino-4-(trifluoromethyl)-5-pyrimidinyl]-3-phenyl-4-isoxazolecarbonitrile KS-00002XFF (CAS 251307-12-7)
- n-(2-Amino-2-oxoethyl)-5-bromo-N-cyclopentylthiophene-3-carboxamide (CAS 1184019-29-1)
- n-(2-Amino-2-oxoethyl)-5-bromo-N-cyclopentylthiophene-2-carboxamide (CAS 1281100-34-2)
- N-(2-(2-(6-Amino-5-nitropyrimidin-4-yl)hydrazinyl)-2-oxoethyl)benzamide (CAS 450346-02-8)
- N-(5-Amino-2,4-dichlorophenyl)-4-methylbenzenesulfonamide (CAS 1119390-49-6)
- 3-Amino-4-chloro-N-(3-chloro-4-methyl-phenyl)-benzenesulfonamide (CAS 78726-73-5)
- 3-Amino-1-benzyl-4-(4-bromophenyl)azetidin-2-one (CAS 1291490-55-5)
- 1-Amino-cyclobutanecarboxylic acid (6-trifluoromethoxybenzothiazol-2-yl)amide (CAS 2001592-19-2)
Recommended Standards
- N-(3-(pyrrolidin-1-yl)propyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CAS 1353880-12-2)
- (5-((3,5-Dichlorophenyl)thio)-4-isopropyl-1-methyl-1H-imidazol-2-yl)methanol (CAS 178978-97-7)
- 1-(3-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)propyl)pyrrolidine (CAS 1229442-51-6)
- (4-((3,5-Dichlorophenyl)thio)-5-isopropyl-1-methyl-1H-imidazol-2-yl)methanol (CAS 178979-29-8)
- Glucosyl (β) C12 Ceramide (CAS 111956-48-0)
- 3,4-Dichloro-N-[4-(2-phenylethynyl)phenyl]benzamide (CAS 439095-78-0)
- (2,4-Dimethoxypyrimidin-6-yl)zinc pivalate (0.86 mmol/g) (CAS 1643792-49-7)
- 3,6-Diamino-4-(difluoromethyl)picolinonitrile (CAS 1806786-53-7)
- 3-Amino-3-(pyrimidin-4-yl)propanamide (CAS 1344050-87-8)
- 1-(Difluoromethyl)-1H-1,2,4-triazol-3-amine hydrochloride (CAS 2137599-17-6)
- 5-Methoxy-4-nitrobenzo[c][1,2,5]oxadiazole (CAS 18333-74-9)
- 2-Amino-4-phenyl-6-(pyrrolidin-1-yl)pyridine-3,5-dicarbonitrile (CAS 77034-27-6)
- Ethyl 3-(4-hydroxy-3-methoxyphenyl)propionate beta-(4-hydroxy-3-methoxyphenyl)-propionic acid ethyl ester ethyl-beta-(4-hydroxy-3-methoxyphenyl)-propionate ethyl-beta-(4-hydroxy-3-methoxy-phenyl)-propionate 3-(4-hydroxy-3-methoxy-phenyl)-propionic acid ethyl ester ethyl-b-(4-hydroxy-3-methoxyphenyl)-propionate b-(4-hydroxy-3-methoxyphenyl)-propionic acid ethyl ester 61292-90-8 (CAS 61292-90-8)
- Liraglutide(3-31)TFA Salt (CAS CATO-C4X-19921)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com