3-(Trifluoromethyl)benzonitrile CAS 368-77-4
| CAS No. | 368-77-4 |
| Molecular Formula | C8H4F3N |
| Molecular Weight | 171.12 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
3-(Trifluoromethyl)benzonitrile (CAS 368-77-4), molecular formula C8H4F3N and molecular weight 171.12 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, a nitrile group, fluorine substitution, 3-(Trifluoromethyl)benzonitrile is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 171.12 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
CATO manufactures 3-(Trifluoromethyl)benzonitrile 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 | C8H4F3N |
| Molecular Weight | 171.12 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 methanol, acetonitrile, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1957 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Trifluoromethyl Standards
- 4-methyl-2-(trifluoromethyl)-1,3-dioxolan-2-amine (CAS 1955518-08-7)
- 2-(Trifluoromethyl)benzonitrile (CAS 447-60-9)
- 2-(trifluoromethyl)thiomorpholine (CAS 1446485-41-1)
- 2-ethyl-2-(trifluoromethyl)butan-1-ol (CAS 1955553-46-4)
- 1-(Trifluoromethyl)-3-fluorobenzene 1-Fluoro-3-(trifluoromethyl)benzene 401-80-9 Benzene, 1-fluoro-3-(trifluoromethyl)- NSC-10315 NSC10315 Toluene,.alpha.,.alpha.,.alpha.-tetrafluoro- Toluene,.alpha.,.alpha.-m-tetrafluoro- Trifluoromethyl-3-fluorobenzene m,.alpha.,.alpha.-Tetrafluorotoluene m-Fluorobenzotrifluoride (CAS 401-80-9)
- [3-(trifluoromethyl)-1H-pyrazol-5-yl]hydrazine (CAS 2566599-97-9)
- 5-(trifluoromethyl)-1,2,4-triazin-3-amine (CAS 425378-65-0)
- 2-(trifluoromethyl)pyrimidin-5-ol (CAS 100991-09-1)
Recommended Standards
- 2,3,5-TRIFLUOROBENZYL CYANIDE 2,3,5-TRIFLUOROPHENYLACETIC ACID 2,3,5-TRIFLUOROPHENYLACETONITRILE 2,4,6-Trifluorophenylacetonitrile 2-(2,3,5-TRIFLUOROPHENYL)ACETONITRILE 243666-14-0 AS01981 RARECHEM AL BO 0711 (CAS 243666-14-0)
- Fluvoxamine Impurity 23 (CAS 455-18-5)
- (3,4,5-Trifluoro-phenyl)-acetonitrile (3,4,5-trifluorophenyl)acetonitrile 220228-03-5 3,4,5 - Trifluorophenylacetonitrile benzeneacetonitrile, 3,4,5-trifluoro- (CAS 220228-03-5)
- 2,4,5-Trifluorophenylacetonitrile (CAS 220141-74-2)
- Cyclopropyl(4-methoxyphenyl)methanamine hydrochloride (CAS 58271-59-3)
- 1,3,5-Tris(2,2-dimethylpropanamido)benzene (CAS 745070-61-5)
- 2-((Tert-butoxycarbonyl)amino)-2-phenylpropanoic acid (CAS 390401-40-8)
- 2-Chloro-5-pyridinemethanol (CAS 21543-49-7)
- ((3S,4R)-4-(3,5-dimethoxyphenyl)pyrrolidin-3-yl)methanol hydrochloride (CAS 1217723-39-1)
- tert-Butyl 5-iodo-3-methyl-1H-indazole-1-carboxylate (CAS 1180526-39-9)
- (S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-4-methylpent-4-enoic acid (CAS 145615-72-1)
- 2-(4-Fluoro-2-methylphenyl)-2-((2,2,2-trifluoroethyl)amino)acetic acid (CAS 1270672-27-9)
- N-{[5-(4-Chlorophenyl)-2-furyl]-methyl}-N-methylamine (CAS 75229-22-0)
- (Leu31,Pro3?)-Neuropeptide Y (human, rat) trifluoroacetate salt (CAS 132699-73-1)
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