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Product No: AA7841

3-Pyridinecarbonitrile, 98%

Name: 3-Pyridinecarbonitrile
Brand: Chempure
Rating: 4 (1 reviews)

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CAS Number

100-54-9

Molecular Weight

104.11

Formula

C6H4N2

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IUPAC name	pyridine-3-carbonitrile
canonical smiles	C1=CC(=CN=C1)C#N
inchi	InChI=1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H
inchi key	GZPHSAQLYPIAIN-UHFFFAOYSA-N
molecular formula	C6H4N2
synonyms	3-cyanopyridine Nicotinonitrile 100-54-9 3-PYRIDINECARBONITRILE pyridine-3-carbonitrile
Compound Description	3-pyridinecarbonitrile is a nitrile that is pyridine substituted by a cyano group at position 3. It is a nitrile and a member of pyridines. It is functionally related to a pyridine.

Computed Properties

Molecular Weight:	104.11 g/mol
XLogP3:	0.2
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:	111
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

Furfural

Benzonitrile

Benzaldehyde

beta-PICOLINE

3-Pyridinemethanol

Picoline, gamma

4-Vinylcyclohexene dioxide

2,6-Dichlorobenzonitrile

3-Pyridinecarboxaldehyde

2-Methylbenzaldehyde

4-Vinylpyridine

3-Acetylpyridine

3-Cyanopyridine

Phenyl acetate

Thiophene-2-carbaldehyde

hazard signal	Danger
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (59.52%) Eye Dam. 1 (41.67%) Eye Irrit. 2A (58.33%) STOT SE 3 (54.76%) Acute toxicity (Oral) - Category 4 Serious eye damage/eye irritation - Category 2A Specific target organ toxicity - Single exposure - Category 2 (nervous system, testis) Specific target organ toxicity - Repeated exposure - Category 2 (blood system, testis)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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] H315 (59.52%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (41.67%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (58.33%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (54.76%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	A skin, eye, and mucous membrane irritant. Emergency treatment: Pyridine. Pyridine is an irritant that causes CNS depression after ingestion of 1/2 cup or inhalation of 6-12 ppm. It can cause liver and kidney injury. Causes respiratory depression and liver changes in lethal-dose studies of rats. An irritant. Harmful if swallowed. See m-Phthalodinitrile.

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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	pyridine-3-carbonitrile
canonical smiles	C1=CC(=CN=C1)C#N
inchi	InChI=1S/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H
inchi key	GZPHSAQLYPIAIN-UHFFFAOYSA-N
molecular formula	C6H4N2
synonyms	3-cyanopyridine Nicotinonitrile 100-54-9 3-PYRIDINECARBONITRILE pyridine-3-carbonitrile
Compound Description	3-pyridinecarbonitrile is a nitrile that is pyridine substituted by a cyano group at position 3. It is a nitrile and a member of pyridines. It is functionally related to a pyridine.

Computed Properties

Molecular Weight:	104.11 g/mol
XLogP3:	0.2
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:	111
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

Furfural

Benzonitrile

Benzaldehyde

beta-PICOLINE

3-Pyridinemethanol

Picoline, gamma

4-Vinylcyclohexene dioxide

2,6-Dichlorobenzonitrile

3-Pyridinecarboxaldehyde

2-Methylbenzaldehyde

4-Vinylpyridine

3-Acetylpyridine

3-Cyanopyridine

Phenyl acetate

Thiophene-2-carbaldehyde

hazard signal	Danger
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (59.52%) Eye Dam. 1 (41.67%) Eye Irrit. 2A (58.33%) STOT SE 3 (54.76%) Acute toxicity (Oral) - Category 4 Serious eye damage/eye irritation - Category 2A Specific target organ toxicity - Single exposure - Category 2 (nervous system, testis) Specific target organ toxicity - Repeated exposure - Category 2 (blood system, testis)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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] H315 (59.52%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (41.67%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (58.33%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (54.76%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	A skin, eye, and mucous membrane irritant. Emergency treatment: Pyridine. Pyridine is an irritant that causes CNS depression after ingestion of 1/2 cup or inhalation of 6-12 ppm. It can cause liver and kidney injury. Causes respiratory depression and liver changes in lethal-dose studies of rats. An irritant. Harmful if swallowed. See m-Phthalodinitrile.

Product No: AA7841

3-Pyridinecarbonitrile, 98%

Product No: AA7841

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: AA7841

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?