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Product No: CE3488

6-Fluoronicotinonitrile, 95%

Name: 6-Fluoronicotinonitrile
Brand: Chempure

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CAS Number

3939-12-6

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About this item

IUPAC name	6-fluoropyridine-3-carbonitrile
canonical smiles	C1=CC(=NC=C1C#N)F
inchi	InChI=1S/C6H3FN2/c7-6-2-1-5(3-8)4-9-6/h1-2,4H
inchi key	VRLVOMUVHHHJHB-UHFFFAOYSA-N
molecular formula	C6H3FN2
synonyms	6-fluoronicotinonitrile 3939-12-6 5-CYANO-2-FLUOROPYRIDINE 6-fluoropyridine-3-carbonitrile 2-FLUORO-5-CYANOPYRIDINE

Computed Properties

Molecular Weight:	122.10 g/mol
XLogP3:	1
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	0
Exact Mass:	122.02802627 g/mol
Monoisotopic Mass:	122.02802627 g/mol
Topological Polar Surface Area:	36.7 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	137
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Benzonitrile

beta-PICOLINE

4-Methylbenzaldehyde

2,6-Dichlorobenzonitrile

3-Pyridinecarboxaldehyde

3-Cyanopyridine

Phenyl acetate

Pentachloropyridine

3-Methylbenzaldehyde

5-Methylfurfural

Furfuryl mercaptan

3-Acetyl-2,5-dimethylfuran

2,4,5-Trimethylthiazole

3-Methoxybenzaldehyde

o-Tolunitrile

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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About this item

Documentation

Certificate of Analysis

Lot Number

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	6-fluoropyridine-3-carbonitrile
canonical smiles	C1=CC(=NC=C1C#N)F
inchi	InChI=1S/C6H3FN2/c7-6-2-1-5(3-8)4-9-6/h1-2,4H
inchi key	VRLVOMUVHHHJHB-UHFFFAOYSA-N
molecular formula	C6H3FN2
synonyms	6-fluoronicotinonitrile 3939-12-6 5-CYANO-2-FLUOROPYRIDINE 6-fluoropyridine-3-carbonitrile 2-FLUORO-5-CYANOPYRIDINE

Computed Properties

Molecular Weight:	122.10 g/mol
XLogP3:	1
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	0
Exact Mass:	122.02802627 g/mol
Monoisotopic Mass:	122.02802627 g/mol
Topological Polar Surface Area:	36.7 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	137
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Benzonitrile

beta-PICOLINE

4-Methylbenzaldehyde

2,6-Dichlorobenzonitrile

3-Pyridinecarboxaldehyde

3-Cyanopyridine

Phenyl acetate

Pentachloropyridine

3-Methylbenzaldehyde

5-Methylfurfural

Furfuryl mercaptan

3-Acetyl-2,5-dimethylfuran

2,4,5-Trimethylthiazole

3-Methoxybenzaldehyde

o-Tolunitrile

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: CE3488

6-Fluoronicotinonitrile, 95%

Product No: CE3488

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: CE3488

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?