4,4-Difluoro-1-[(2-fluorophenyl)methyl]cyclohexane-1-carboxylic acid CAS 1380300-84-4
| CAS No. | 1380300-84-4 |
| Molecular Formula | C9H11F3N4 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 4,4-Difluoro-1-[(2-fluorophenyl)methyl]cyclohexane-1-carboxylic acid (C9H11F3N4HCl) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 4.0, corresponding to approximately 4 ring(s) or double-bond equivalent(s). With a molecular weight of 268.67 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.
4,4-Difluoro-1-[(2-fluorophenyl)methyl]cyclohexane-1-carboxylic acid (CAS 1380300-84-4) is a high-purity analytical reference standard with the molecular formula C9H11F3N4HCl and a molecular weight of 268.67 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.
As a certified reference material (CRM), 4,4-Difluoro-1-[(2-fluorophenyl)methyl]cyclohexane-1-carboxylic acid meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C9H11F3N4 2*HCl |
| Molecular Weight | 268.67 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, 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) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
Related Difluoro Standards
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Recommended Standards
- Methyl 5-(chlorosulfonyl)-2-methylthiophene-3-carboxylate (CAS 2090072-28-7)
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- 2-Amino-3,5-dibromo-6-chlorobenzonitrile (CAS 1027512-55-5)
- 2,2-Dimethyl-3-(4-methylphenyl)propanal (CAS 22490-57-9)
- Furametpyr (CAS 123572-88-3)
- 2-Aminobiphenyl Hydrochloride (CAS 2185-92-4)
- Phenyl 2-acetamido-3-4-6-tri-O-acetyl-2-deoxy-α-D-glucopyranoside (CAS 13089-19-5)
- (2E)-3-(4-Ethoxyphenyl)-1-(4-ethylphenyl)prop-2-en-1-one (CAS 1177191-45-5)
- 2-(4-(1,4-Dihydroxybutyl)phenyl)-2-methylpropanoic Acid (CAS 695165-49-2)
- Semaglutide Impurity 1(OtBu-Ste-D-γGlu(OtBu)-AEEA-AEEA-OH) (CAS CATO-C4X-22261)
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