HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,4,6-Trifluorobenzylamine
RARECHEM AL BW 0429 · Chlorfenvinphos Impurity 7 · 2,4,6-Trifluorobenzyl amine · 2,4,6-trifluorobenzylaminine · (2,4,6-Trifluorophenyl)methylamine · 2,4,6-Trifluorobenzylamine 98% GC · Benzenemethanamine, 2,4,6-trifluoro- · 1-(2,4,6-Trifluorophenyl)methylamine
Identifiers & Physical Properties
| CAS No. | 214759-21-4 |
|---|---|
| Molecular formula | C7H6F3N |
| Average molar mass | 161.12 g/mol |
| Monoisotopic mass | 161.04523385 g/mol |
| SMILES | NCc1c(F)cc(F)cc1F |
| InChIKey | RCHOKTKXVKKNBC-UHFFFAOYSA-N |
| PubChem CID | 2777046 |
| EC No. | 679-198-1 |
| DTXSID | DTXSID90380348 |
Chemical & Physical Properties
| XLogP | 1.1 |
|---|---|
| Topological polar surface area | 26 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 1 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 119 |
| Boiling point | 165℃ |
| Density | 1.320 |
| Flash point | 63℃ |
| Storage conditions | under inert gas (nitrogen or Argon) at 2–8 °C |
| Solubility | DMSO (Slightly), Methanol (Slightly)Slightly Soluble in water (1.2 g/L) (25°C). |
| pKa (acidity coefficient) | 8.16±0.10(Predicted) |
| Physical state | liquid |
| Color | Colourless |
| Sensitivity | Air Sensitive |
| Stability | Air Sensitive |
| InChI | InChI=1S/C7H6F3N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H,3,11H2 |
| InChIKey | RCHOKTKXVKKNBC-UHFFFAOYSA-N |
| SMILES | C1(CN)=C(F)C=C(F)C=C1F |
| FDA UNII | BBD24FMX8B |
| GHS pictogram | GHS05 |
| Signal word | Warning |
| GHS hazard statements | H314-H318 |
| GHS precautionary statements | P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a |
| Hazard symbols | Xi,C |
| Risk statements (R) | 34 |
| Safety statements (S) | 20-26-36/37/39-45 |
| UN transport number | UN2735 |
| Hazard Note | Irritant |
| Hazard class | 8 |
| Packing group | III |
| Customs code | 2921490090 |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
Safety & Regulations
| GHS classification | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| UN transport number | UN2735 |
| Customs code | 2921490090 |
| Risk statements (R) | 34 |
| Signal word | Warning |
| GHS pictogram | GHS05 |
| Hazard symbols | Xi,C |
| hazard_note | Irritant |
| Safety statements (S) | 20-26-36/37/39-45 |
| Hazard class | 8 |
| Packing group | III |
| GHS hazard statements | H314-H318 |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
| GHS precautionary statements | P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a |
Applications & Uses
Uses
Used to prepare dyes. Industrially used in natural gas and refinery process streams. They also are used in polymer industry as monomers. Amines find use as additives for lubricating oils, engine fuels, and asphalt, and are producers of ethanolamines.
Uses
2,4,6-Trifluorobenzylamine can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.