HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Bromo-2-(trifluoromethyl)pyridine
3-Bromo-2-(trifluoromethyl)pyridine · tert-butyl 4-bromo-1h-pyrazole-1-carboxylate · Halides · 3-iodo-2-piperidin-1-ylpyridine · 3-Bromo-2-trifluoromethylpyridine · 4-chloro-2-piperidin-1-ylpyridine · 4-(4-chloropyridin-2-yl)morpholine · 4-Bromo-1H-pyrazole, N1-BOC protected
Identifiers & Physical Properties
| CAS No. | 590371-58-7 |
|---|---|
| Molecular formula | C6H3BrF3N |
| Average molar mass | 225.99 g/mol |
| Monoisotopic mass | 224.9401 g/mol |
| SMILES | FC(F)(F)c1ncccc1Br |
| InChIKey | SMZAZDGFGOHROS-UHFFFAOYSA-N |
| PubChem CID | 11368115 |
| EC No. | 807-519-9 |
| DTXSID | DTXSID70463749 |
Chemical & Physical Properties
| XLogP | 2.5 |
|---|---|
| Topological polar surface area | 12.9 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 0 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 136 |
| Melting point | 34-36 °C(Solv: hexane (110-54-3)) |
| Boiling point | 97-99 °C(Press: 35 Torr) |
| Density | 1.707±0.06 g/cm3(Predicted) |
| Storage conditions | under inert gas (nitrogen or Argon) at 2-8°C |
| pKa (acidity coefficient) | -1.80±0.22(Predicted) |
| Appearance | White to light yellow 36°C Liquid |
| GHS pictogram | GHS07,GHS08 |
| Signal word | Danger |
| GHS hazard statements | H302-H315-H319-H361-H370-H372-H412 |
| GHS precautionary statements | P501-P273-P260-P270-P202-P201-P264-P280-P302+P352-P337+P313-P305+P351+P338-P308+P311-P362+P364-P332+P313-P301+P312+P330-P405 |
| UN transport number | UN2811 |
| Hazard class | IRRITANT |
| Customs code | 2933399990 |
Safety & Regulations
| GHS classification | DangerH301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (25%) |
| UN transport number | UN2811 |
| Customs code | 2933399990 |
| Signal word | Danger |
| GHS pictogram | GHS07,GHS08 |
| Hazard class | IRRITANT |
| GHS hazard statements | H302-H315-H319-H361-H370-H372-H412 |
| GHS precautionary statements | P501-P273-P260-P270-P202-P201-P264-P280-P302+P352-P337+P313-P305+P351+P338-P308+P311-P362+P364-P332+P313-P301+P312+P330-P405 |
Applications & Uses
Uses
3-Bromo-2-(trifluoromethyl)pyridine is a fluorine-containing pyridine analogue with a bromine atom as a reactive group in its structure, which can be used in a variety of chemical reactions. It can also be used as an intermediate or raw material for organic synthesis, such as the preparation of 2-(trifluoromethyl)nicotinic acid and its derivatives.