ChemicalBook--->CAS DataBase List--->845827-13-6

845827-13-6

845827-13-6 Structure

845827-13-6 Structure
IdentificationBack Directory
[Name]

PYRIDINE, 5-BROMO-2-(DIFLUOROMETHYL)-
[CAS]

845827-13-6
[Synonyms]

3-Bromo-6-(difluoromethyl)pyridine
PYRIDINE, 5-BROMO-2-(DIFLUOROMETHYL)-
5-Bromo-2-(difluoromethyl)pyridine 95%
5-Bromo-alpha,alpha-difluoro-2-picoline
[EINECS(EC#)]

200-258-5
[Molecular Formula]

C6H4BrF2N
[MDL Number]

MFCD11977429
[MOL File]

845827-13-6.mol
[Molecular Weight]

208.005
Chemical PropertiesBack Directory
[Melting point ]

35-40℃
[Boiling point ]

206.6±35.0 °C(Predicted)
[density ]

1.64
[Fp ]

89°(192°F)
[storage temp. ]

2-8°C
[form ]

Solid
[pka]

-0.83±0.29(Predicted)
[color ]

White to yellow
[InChI]

InChI=1S/C6H4BrF2N/c7-4-1-2-5(6(8)9)10-3-4/h1-3,6H
[InChIKey]

QXLZRIGSWWQOLG-UHFFFAOYSA-N
[SMILES]

C1(C(F)F)=NC=C(Br)C=C1
[CAS DataBase Reference]

845827-13-6
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301-H315-H319-H335
[Precautionary statements ]

P301+P310+P330-P302+P352-P305+P351+P338
[Hazard Codes ]

T
[Risk Statements ]

25-36/37/38
[Safety Statements ]

26-45
[RIDADR ]

2811
[WGK Germany ]

3
[HazardClass ]

6.1
[PackingGroup ]

Ⅲ
[HS Code ]

2933399990
Spectrum DetailBack Directory
[Spectrum Detail]

PYRIDINE, 5-BROMO-2-(DIFLUOROMETHYL)-(845827-13-6)1HNMR
PYRIDINE, 5-BROMO-2-(DIFLUOROMETHYL)-(845827-13-6)FT-IR
Hazard InformationBack Directory
[Synthesis]

5-Bromopyridine-2-carbaldehyde

31181-90-5

PYRIDINE, 5-BROMO-2-(DIFLUOROMETHYL)-

845827-13-6

General procedure for the synthesis of 5-bromo-2-difluoromethylpyridine from 5-bromo-2-pyridinecarboxaldehyde: To a cooled solution of 5-bromopyridine-2-carboxaldehyde (A) (7.0 g, 38 mmol) in dichloromethane (300 mL) was slowly added diethylaminosulfur trifluoride (DAST, 10.8 mL, 83 mmol) at -78 °C. The reaction mixture was gradually warmed to room temperature over a period of 6 h. The reaction was subsequently quenched by the slow addition of water. The reaction mixture was washed with saturated aqueous sodium bicarbonate solution and dried with anhydrous sodium sulfate. Concentration and purification by silica gel column chromatography (dichloromethane as eluent) afforded 5-bromo-2-difluoromethylpyridine (B) as brown crystals (5.3 g, 67% yield).1H NMR (300 MHz, CDCl3) δ 8.8 (s, 1H), 8.0 (d, 1H), 7.6 (d, 1H), 6.6 (t, 1H).

[References]

[1] Patent: US2012/302608, 2012, A1. Location in patent: Page/Page column 11
[2] Patent: WO2006/109729, 2006, A1. Location in patent: Page/Page column 168-169
[3] Patent: US2009/23782, 2009, A1. Location in patent: Page/Page column 13
[4] Patent: US2010/168178, 2010, A1. Location in patent: Page/Page column 11
[5] Patent: US2010/168177, 2010, A1. Location in patent: Page/Page column 11
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