N-neopentyl-3-(trifluoromethyl)aniline CAS 887590-46-7
| CAS No. | 887590-46-7 |
| Molecular Formula | C12H16F3N |
| Molecular Weight | 231.26 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including N-neopentyl-3-(trifluoromethyl)aniline.
N-neopentyl-3-(trifluoromethyl)aniline (CAS 887590-46-7), molecular formula C12H16F3N and molecular weight 231.26 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, N-neopentyl-3-(trifluoromethyl)aniline (C12H16F3N) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine 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 231.26 g/mol, it falls into the medium-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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), N-neopentyl-3-(trifluoromethyl)aniline 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 | C12H16F3N |
| Molecular Weight | 231.26 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate |
| 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.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related N Standards
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Recommended Standards
- N-(4-(trifluoromethyl)phenethyl)propan-1-amine (CAS 625838-83-7)
- tert-Butyl (2S,4R)-2-acetyl-4-fluoropyrrolidine-1-carboxylate (CAS 2348315-76-2)
- Butyl({[4-(trifluoromethyl)phenyl]methyl})amine (CAS 90390-14-0)
- tert-Butyl 3-fluoro-4-oxoazepane-1-carboxylate (CAS 644982-12-7)
- 1-(5-Chloro-6-methoxynaphthalen-2-yl)hexan-1-one (CAS 1221409-20-6)
- 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)benzenesulfonamide (CAS 1864801-79-5)
- 3-Bromo-7-methoxy-1H-pyrazolo[3,4-c]pyridine (CAS 1357946-82-7)
- Methyl 4-acetoxy-6-(decyloxy)-7-isopropoxyquinoline-3-carboxylate (CAS 80061-37-6)
- 1-[4-(4h-1,2,4-triazol-4-yl)phenyl]ethan-1-one (CAS 1030702-48-7)
- 2,3,4,5-Tetrahydrobenzo[f][1,4]oxazepine-8-carboxylic acid (CAS 1553959-31-1)
- 1-(2-(4-Nitrophenyl)-2-oxoethyl)-2-phenyl-1H-imidazo[1,2-a]pyridin-4-ium bromide (CAS 476411-27-5)
- 4-Amino-N,1-dimethyl-N-phenyl-1H-pyrazole-5-carboxamide (CAS 1474071-10-7)
- 2-(tert-Butyl)-1-cyclopropoxy-3-methylbenzene (CAS 1243448-89-6)
- (Des-Thr7)-Glucagon trifluoroacetate salt (CAS 1802078-28-9)
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