| Identification | More | [Name]
6-(TRIFLUOROMETHYL)NICOTINOYL CHLORIDE | [CAS]
358780-13-9 | [Synonyms]
6-(TRIFLUOROMETHYL)NICOTINOYL CHLORIDE 6-(TRIFLUOROMETHYL)NICOTINYL CHLORIDE 3-Pyridinecarbonyl chloride, 6-(trifluoromethyl)-(9CI) 6-(TRIFLUOROMETHYL)NICOTINOYLCHLORIDEUNNUMBER3265,CLASS8,PACKINGGROUP3
6-(Trifluoromethyl)nicotinoyl chloride 98% 6-(Trifluoromethyl)nicotinoylchloride98% | [Molecular Formula]
C7H3ClF3NO | [MDL Number]
MFCD01862645 | [Molecular Weight]
209.55 | [MOL File]
358780-13-9.mol |
| Questions And Answer | Back Directory | [Synthesis]
 Using a syringe, 6-(trifluoromethyl)nicotinic acid (45 g, 235.5 mmol), dichloromethane (540 mL), and DMF (0.910 mL, 11.77 mmol) were added to a 1 L three-necked flask equipped with a top-mounted stirrer, a Claisen adapter, a nitrogen bubbler, a 60 mL feeding funnel, and a thermocouple. Oxaloyl chloride (24.51 mL, 282.56 mmol) was added to the solution, and the reaction mixture was stirred overnight at ambient temperature. The reaction mixture was then filtered, and the filtrate was concentrated under vacuum to obtain the title compound as a brownish semi-solid. | [Application]
6-Trifluoromethylnicotinic acid chloride is an organic intermediate that can be used in acylation reactions. It can be prepared in one step from 6-(trifluoromethyl)nicotinic acid and oxalyl chloride. |
| Chemical Properties | Back Directory | [Boiling point ]
54 °C2 mm Hg(lit.) | [density ]
1.438 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.4750(lit.)
| [Fp ]
228 °F
| [storage temp. ]
2-8°C | [form ]
solid | [pka]
-2.05±0.22(Predicted) | [color ]
Colourless to white loe melting | [Sensitive ]
Moisture Sensitive | [InChI]
1S/C7H3ClF3NO/c8-6(13)4-1-2-5(12-3-4)7(9,10)11/h1-3H | [InChIKey]
DDIXMUVENCORLG-UHFFFAOYSA-N | [SMILES]
FC(F)(F)c1ccc(cn1)C(Cl)=O | [CAS DataBase Reference]
358780-13-9(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
C | [Risk Statements ]
R22:Harmful if swallowed. R34:Causes burns. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
UN 3265 8/PG 3
| [WGK Germany ]
3
| [Hazard Note ]
Corrosive | [HazardClass ]
8 | [PackingGroup ]
II | [HS Code ]
2933399990 | [Storage Class]
8A - Combustible corrosive hazardous materials | [Hazard Classifications]
Acute Tox. 4 Oral Skin Corr. 1B |
|
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