1-[3,5-Bis(trifluoromethyl)phenyl]biguanide hydrochloride CAS 1030829-67-4
| CAS No. | 1030829-67-4 |
| Molecular Formula | C10H9F6N5 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 1-[3,5-Bis(trifluoromethyl)phenyl]biguanide hydrochloride (C10H9F6N5HCl) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 349.66 g/mol, it falls into the moderately-high-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.
1-[3,5-Bis(trifluoromethyl)phenyl]biguanide hydrochloride (CAS 1030829-67-4) is a high-purity analytical reference standard with the molecular formula C10H9F6N5HCl and a molecular weight of 349.66 g/mol.
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 | C10H9F6N5 HCl |
| Molecular Weight | 349.66 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, faint amine-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| 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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 5 |
Related Bis Standards
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- (2-Methyl-4-(trifluoromethyl)thiazol-5-yl)methanol (CAS 1000339-72-9)
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- 3-(2-(4-(trifluoromethyl)piperidin-1-yl)ethyl)benzaldehyde (CAS 1000339-89-8)
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Recommended Standards
- 4-Fluoro-6-nitropyridin-3-ol (CAS 1806332-44-4)
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- 2-Bromo-4-cyclobutoxy-6-fluorobenzonitrile (CAS 1956364-60-5)
- 4-Chloro-2-(pyrrolidin-1-yl)pyridine (CAS 1209459-01-7)
- 4-(3,4-Difluorophenoxy)-2-(trifluoromethyl)aniline (CAS 946663-37-2)
- 3-(3-Cyclopropyl-3H-imidazo[4,5-b]pyridin-2-yl)propanoic acid (CAS 1031562-75-0)
- 4,6-Dichloro-2-(2,4-dimethoxybenzyl)-7-fluoro-1,2-dihydro-3H-pyrrolo[3,4-c]pyridin-3-one (CAS 1312691-38-5)
- Dexamethasone Decanoate (CAS CATO-C4X-116571)
- Pancreatic Polypeptide (rat) (CAS 90419-12-8)
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