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Product No: DZ2638

4-Cyano-2-methylpyridine, 98%

Name: 4-Cyano-2-methylpyridine
Brand: Chempure

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CAS Number

2214-53-1

Molecular Weight

118.14

Formula

C7H6N2

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About this item

IUPAC name	2-methylpyridine-4-carbonitrile
canonical smiles	CC1=NC=CC(=C1)C#N
inchi	InChI=1S/C7H6N2/c1-6-4-7(5-8)2-3-9-6/h2-4H,1H3
inchi key	SBWJLHPCEHEABR-UHFFFAOYSA-N
molecular formula	C7H6N2
synonyms	2214-53-1 4-Cyano-2-methylpyridine 2-methylisonicotinonitrile 2-methylpyridine-4-carbonitrile 2-Methyl-4-cyanopyridine

Computed Properties

Molecular Weight:	118.14 g/mol
XLogP3:	0.8
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	0
Exact Mass:	118.053098200 g/mol
Monoisotopic Mass:	118.053098200 g/mol
Topological Polar Surface Area:	36.7 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	133
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

Ethionamide

3-Pyridinemethanol

4-Methylbenzaldehyde

Picoline, gamma

2-Methylbenzaldehyde

N-Nitrosomorpholine

3-Pyridinecarboxaldehyde

p-Anisaldehyde

3-Cyanopyridine

5-Ethyl-2-methylpyridine

Clomethiazole

p-Toluquinone

4'-Methylacetophenone

2,4-Dimethylpyridine

3-Methylbenzaldehyde

hazard signal	Danger
hazard classes and categories	Acute Tox. 4 (66.67%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501
hazard statements	H301+H311+H331 (33.33%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (66.67%): 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 (66.67%): 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

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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!

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About this item

IUPAC name	2-methylpyridine-4-carbonitrile
canonical smiles	CC1=NC=CC(=C1)C#N
inchi	InChI=1S/C7H6N2/c1-6-4-7(5-8)2-3-9-6/h2-4H,1H3
inchi key	SBWJLHPCEHEABR-UHFFFAOYSA-N
molecular formula	C7H6N2
synonyms	2214-53-1 4-Cyano-2-methylpyridine 2-methylisonicotinonitrile 2-methylpyridine-4-carbonitrile 2-Methyl-4-cyanopyridine

Computed Properties

Molecular Weight:	118.14 g/mol
XLogP3:	0.8
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	0
Exact Mass:	118.053098200 g/mol
Monoisotopic Mass:	118.053098200 g/mol
Topological Polar Surface Area:	36.7 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	133
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

Ethionamide

3-Pyridinemethanol

4-Methylbenzaldehyde

Picoline, gamma

2-Methylbenzaldehyde

N-Nitrosomorpholine

3-Pyridinecarboxaldehyde

p-Anisaldehyde

3-Cyanopyridine

5-Ethyl-2-methylpyridine

Clomethiazole

p-Toluquinone

4'-Methylacetophenone

2,4-Dimethylpyridine

3-Methylbenzaldehyde

hazard signal	Danger
hazard classes and categories	Acute Tox. 4 (66.67%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501
hazard statements	H301+H311+H331 (33.33%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (66.67%): 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 (66.67%): 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: DZ2638

4-Cyano-2-methylpyridine, 98%

Product No: DZ2638

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: DZ2638

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?