3-Bromo-5-fluoropicolinonitrile

Basic Information

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CAS Number

950670-18-5

Molecular Formula

C6H2BrFN2

Molecular Weight

17.03 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

274.8±40.0 ºC (760 Torr),

Density

1.81±0.1 g/cm3 (20 ºC 760 Torr),

Flash Point

120.0±27.3 ºC,

SMILES

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C1=C(C=NC(=C1Br)C#N)F

InChI

InChI=1S/C6H2BrFN2/c7-5-1-4(8)3-10-6(5)2-9/h1,3H

InChIKey

OLOSREGULYFXDD-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

164

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

3-Bromo-5-fluoropicolinonitrile
3-Bromo-5-fluoro-2-cyanopyridine
3-Bromo-5-fluoropyridine-2-carbonitrile
C6H2BrFN2
3-Bromo-2-cyano-5-fluoropyridine
3-Bromo-5-fluoro-2-pyridinecarbonitrile
OLOSREGULYFXDD-UHFFFAOYSA-N
BBL103141
STL556951
LF10379
3-AROMO-5-FLUOROPICOLINONITRILE
PC49162
FCH1349230
AX82108
3-Bromo-5-fluoro-2-pyridinecarbonitrile (ACI)
MFCD16988825
3-bromo-5-fluoropicolinonitrile
3-BROMO-5-FLUORO-2-CYANOPYRIDINE
PS-6662
CS-W018837
SCHEMBL384105
J-512021
SY065651
DTXSID70677440
AKOS005259642
950670-18-5
DB-080177
3-Bromo-5-fluoropicolinonitrile, AldrichCPR
AU-004/43502014

MDL Number

MFCD16988825

FAQ

What regulatory guidelines apply to 3-Bromo-5-fluoropicolinonitrile (CAS: 950670-18-5)?

3-Bromo-5-fluoropicolinonitrile (CAS: 950670-18-5) is regulated under various guidelines such as GHS (Globally Harmonized System of Classification and Labeling of Chemicals) for hazard communication. It is also subject to REACH regulations in the European Union for chemical registration, evaluation, authorization, and restriction. FDA and EPA have specific requirements for the handling, storage, and disposal of this compound in the United States.

Are there alternatives to 3-Bromo-5-fluoropicolinonitrile (CAS: 950670-18-5) in synthesis?

Alternatives to 3-Bromo-5-fluoropicolinonitrile include similar bromo and fluoro derivatives of picolinonitriles, such as 3-bromo-5-chloropicolinonitrile and 5-fluoro-3-nitropyridine. These compounds can serve as viable substitutes depending on the specific reaction conditions and desired product properties.

What is the market or research trend for 3-Bromo-5-fluoropicolinonitrile (CAS: 950670-18-5)?

The market for 3-Bromo-5-fluoropicolinonitrile (CAS: 950670-18-5) is growing due to its application in the synthesis of pharmaceuticals and agrochemicals. Research trends focus on developing more efficient synthesis methods and exploring its potential in medicinal chemistry. Recent studies have shown increased interest in its use as a building block for drug discovery.

How should waste containing 3-Bromo-5-fluoropicolinonitrile (CAS: 950670-18-5) be handled?

Waste containing 3-Bromo-5-fluoropicolinonitrile (CAS: 950670-18-5) should be collected in appropriate containers and stored separately to prevent environmental contamination. For disposal, incineration is recommended to ensure complete destruction of the compound. Professional waste disposal services should be utilized to handle the waste safely and in compliance with local regulations.