HuagongsheHuagongshe Chemistry Print Report · For research reference only
6-Fluoro-4-hydroxy-2-(trifluoromethyl)quinoline
BUTTPARK 37\04-03 · 6-fluoro-2-(trifluoromethyl)-4-quinolone · 6-Fluoro-2-(trifluoromethyl)quinolin-4-ol · 4-Quinolinol, 6-fluoro-2-(trifluoromethyl)- · 6-fluoro-2-(trifluoromethyl)-1H-quinolin-4-one · 6-Fluoro-2-(trifluoromethyl)quinolin-4(1h)-one · 6-Fluoro-4-hydroxy-2-(trifluoromethyl)quinoline · 6-Fluoro-4-hydroxy-2-(trifluoromethyl)quinoline97%

Identifiers & Physical Properties
| CAS No. | 31009-34-4 |
|---|---|
| Molecular formula | C10H5F4NO |
| Average molar mass | 231.15 g/mol |
| Monoisotopic mass | 231.03072666 g/mol |
| SMILES | O=c1cc(C(F)(F)F)[nH]c2ccc(F)cc12 |
| InChIKey | FNDABQIPEQHTNR-UHFFFAOYSA-N |
| PubChem CID | 285540 |
| ChEMBL | CHEMBL3727777 |
| EC No. | 109-491-7 |
| DTXSID | DTXSID80301345 |
Chemical & Physical Properties
| XLogP | 2.6 |
|---|---|
| Topological polar surface area | 29.1 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 0 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 336 |
| Melting point | 259-263°C |
| Boiling point | 302.9±37.0 °C(Predicted) |
| Density | 1.511±0.06 g/cm3(Predicted) |
| Storage conditions | Storage temp. 2-8°C |
| pKa (acidity coefficient) | 6.40±0.40(Predicted) |
| Physical state | solid |
| Appearance | White to off-white Solid |
| InChI | 1S/C10H5F4NO/c11-5-1-2-7-6(3-5)8(16)4-9(15-7)10(12,13)14/h1-4H,(H,15,16) |
| InChIKey | FNDABQIPEQHTNR-UHFFFAOYSA-N |
| SMILES | Oc1cc(nc2ccc(F)cc12)C(F)(F)F |
| CAS DataBase Reference | 31009-34-4(CAS DataBase Reference) |
| UNSPSC Code | 12352200 |
| NACRES | NA.21 |
| GHS pictogram | GHS06 |
| Signal word | Danger |
| GHS hazard statements | H301 |
| GHS precautionary statements | P301+P310 |
| Hazard symbols | Xi,T |
| Risk statements (R) | 36/37/38-25 |
| Safety statements (S) | 26-36/37/39-45 |
| UN transport number | UN 2811 6.1 / PGIII |
| Water hazard class (WGK) | WGK 3 |
| Hazard Note | Irritant |
| Hazard class | 6.1Acute Tox. 3 Oral |
| Customs code | 29334900 |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Limited quantities | 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 | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P270, P301+P316, P321, P330, 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. 3 (100%) |
| Water hazard class (WGK) | WGK 3 |
| UN transport number | UN 2811 6.1 / PGIII |
| Customs code | 29334900 |
| Risk statements (R) | 36/37/38-25 |
| Signal word | Danger |
| GHS pictogram | GHS06 |
| Hazard symbols | Xi,T |
| hazard_note | Irritant |
| Safety statements (S) | 26-36/37/39-45 |
| Hazard class | 6.1Acute Tox. 3 Oral |
| Storage class | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| GHS hazard statements | H301 |
| Limited quantities | 5.0 kg (11 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
| GHS precautionary statements | P301+P310 |
Applications & Uses
Uses
6-Fluoro--4-hydroxy-2-(trifluoromethyl)quinoline