HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-Methyl-1-[2-(trifluoromethyl)phenyl]methanamine
CHEMBRDG-BB 4004317 · N-Methyl-2-trifluoroMethylbenzylaMine · Methyl-(2-trifluoromethyl-benzyl)-amine · Benzenemethanamine, N-methyl-2-(trifluoromethyl)- · N-methyl-1-(2-(trifluoromethyl)phenyl)methanamine · N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine(SALTDATA: FREE)
![N-Methyl-1-[2-(trifluoromethyl)phenyl]methanamine molecular structure](/img/chemical/2064101.png)
Identifiers & Physical Properties
| CAS No. | 296276-41-0 |
|---|---|
| Molecular formula | C9H10F3N |
| Average molar mass | 189.18 g/mol |
| Monoisotopic mass | 189.07653398 g/mol |
| SMILES | CNCc1ccccc1C(F)(F)F |
| InChIKey | GKOKBYDWCYRBGB-UHFFFAOYSA-N |
| PubChem CID | 2064101 |
| EC No. | 845-064-8 |
| DTXSID | DTXSID60366417 |
Chemical & Physical Properties
| XLogP | 2.2 |
|---|---|
| Topological polar surface area | 12 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 155 |
| Boiling point | 176.4±35.0 °C(Predicted) |
| Density | 1.149±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 9.23±0.10(Predicted) |
| GHS pictogram | GHS07,GHS05 |
| Signal word | Danger |
| GHS hazard statements | H335-H318-H315-H302 |
| GHS precautionary statements | P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310 |
| Risk statements (R) | 22-34-52/53 |
| Safety statements (S) | 26-36/37/39-45-61 |
| UN transport number | 2735 |
| Customs code | 29214990 |
Safety & Regulations
| GHS classification | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| UN transport number | 2735 |
| Customs code | 29214990 |
| Risk statements (R) | 22-34-52/53 |
| Signal word | Danger |
| GHS pictogram | GHS07,GHS05 |
| Safety statements (S) | 26-36/37/39-45-61 |
| GHS hazard statements | H335-H318-H315-H302 |
| GHS precautionary statements | P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310 |