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Product No: AW9398

pyridine-4-carbonitrile, 95%

Name: pyridine-4-carbonitrile
Brand: Chempure

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CAS Number

100-48-1

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About this item

IUPAC name	pyridine-4-carbonitrile
canonical smiles	C1=CN=CC=C1C#N
inchi	InChI=1S/C6H4N2/c7-5-6-1-3-8-4-2-6/h1-4H
inchi key	GPHQHTOMRSGBNZ-UHFFFAOYSA-N
molecular formula	C6H4N2
synonyms	4-CYANOPYRIDINE Isonicotinonitrile 100-48-1 4-Pyridinecarbonitrile pyridine-4-carbonitrile

Computed Properties

Molecular Weight:	104.11 g/mol
XLogP3:	0.5
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	0
Exact Mass:	104.037448136 g/mol
Monoisotopic Mass:	104.037448136 g/mol
Topological Polar Surface Area:	36.7 Å²
Heavy Atom Count:	8
Formal Charge:	0
Complexity:	105
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

1,4-Benzoquinone

Benzonitrile

Benzaldehyde

beta-PICOLINE

4-Methylbenzaldehyde

2,6-Dichlorobenzonitrile

Picoline, gamma

4-Vinylcyclohexene dioxide

2-Methylbenzaldehyde

N-Nitrosomorpholine

4-Vinylpyridine

Succinonitrile

3-Pyridinecarboxaldehyde

Clomethiazole

1,4-Dimethoxybenzene

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (94.81%) Acute Tox. 4 (58.44%) Eye Irrit. 2 (42.86%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P337+P317, P362+P364, and P501
hazard statements	H302 (94.81%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (58.44%): Harmful in contact with skin [Warning Acute toxicity, dermal] H319 (42.86%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (58.44%): Harmful if inhaled [Warning Acute toxicity, inhalation]
hazards summary	A strong eye irritant. Harmful by ingestion. See m-Phthalodinitrile. See Pyridine.

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Documentation

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*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!

Product No: AW9398

pyridine-4-carbonitrile, 95%

Product No: AW9398

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) ?

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Product No: AW9398

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?