ChemicalBook--->CAS DataBase List--->31301-51-6

31301-51-6

31301-51-6 Structure

31301-51-6 Structure
IdentificationMore
[Name]

2-Chloro-5-fluoropyridine
[CAS]

31301-51-6
[Synonyms]

2-CHLORO-5-FLUOROPYRIDINE
2-Chloro-5-fluoropyridine 98%
2-Chloro-5-fluoropyridine98%
2-Chloro-5-fluoropyridine ,96%
[Molecular Formula]

C5H3ClFN
[MDL Number]

MFCD03095332
[Molecular Weight]

131.54
[MOL File]

31301-51-6.mol
Chemical PropertiesBack Directory
[Appearance]

Light yellow powder
[Melting point ]

19℃
[Boiling point ]

74 °C / 38mmHg
[density ]

1.297 g/mL at 25 °C
[refractive index ]

n20/D 1.503
[Fp ]

108 °C
[storage temp. ]

Inert atmosphere,2-8°C
[form ]

powder to lump to clear liquid
[pka]

-2.20±0.10(Predicted)
[color ]

White or Colorless to Light yellow
[Detection Methods]

GC,NMR
[InChI]

InChI=1S/C5H3ClFN/c6-5-2-1-4(7)3-8-5/h1-3H
[InChIKey]

QOGXQLSFJCIDNY-UHFFFAOYSA-N
[SMILES]

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

31301-51-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R10:Flammable.
R22:Harmful if swallowed.
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/39:Wear suitable protective clothing and eye/face protection .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 1993 3/PG 3
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29333990
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Dam. 1
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Fluoroboric acid-->Heptane-->Isoamyl nitrite-->5-Amino-2-chloropyridine-->tert-Butyl nitrite-->Boron trifluoride diethyl etherate-->1,2-Dichlorobenzene
[Preparation Products]

2-Cyano-5-fluoropyridine-->N-(2-chloro-5-luoropyridin-4-yl)nitraMide-->6-chloro-3-fluoro-2-methoxyPyridine
Hazard InformationBack Directory
[Chemical Properties]

Light yellow powder
[Uses]

2-Chloro-5-fluoropyridine, is the intermediate used for the synthesis of pharmaceuticals agents and biologically active compounds, such as pyrazol-3-ylamino pyrazines as novel JAK2 inhibitors.
[Synthesis]

5-Amino-2-chloropyridine

5350-93-6

2-Chloro-5-fluoropyridine

31301-51-6

The general procedure for the synthesis of 2-chloro-5-fluoropyridine from 2-chloro-5-aminopyridine is as follows: in a 25-mL three-necked flask equipped with a reflux condenser, thermocouple, and stirring system, 1 g (7.78 mmol) of 2-chloro-5-aminopyridine was dissolved in 14.3 g of o-dichlorobenzene, and added dropwise over a 5-min period of 5 min at room temperature to 1.64 g (11.5 mmol, 1.47 molar equivalents) of the boron trifluoride ethyl ether complex. Upon completion of the dropwise addition, the reaction solution was beige in color and accompanied by the formation of a precipitate. Subsequently, the reaction system was heated to 105 °C and maintained for 20 minutes before 1.05 g (9.2 mmol, 1.18 mole equivalents, 90% purity) of tert-butyl nitrite was added to 5.0 g of o-dichlorobenzene at a controlled titration rate of 25 ml/hr. The reaction was kept at 105 °C and continued for 25 min, after which the heating was stopped. The yield of 2-chloro-5-fluoropyridine was 36% as determined by 19F NMR.

[References]

[1] Patent: US2007/276168, 2007, A1. Location in patent: Page/Page column 9
Spectrum DetailBack Directory
[Spectrum Detail]

2-Chloro-5-fluoropyridine(31301-51-6)1HNMR
2-Chloro-5-fluoropyridine(31301-51-6)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2-Chloro-5-fluoropyridine, 95%(31301-51-6)
[Sigma Aldrich]

31301-51-6(sigmaaldrich)
[TCI AMERICA]

2-Chloro-5-fluoropyridine,>98.0%(GC)(31301-51-6)
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