pyridine-2-carbonitrile

• ChemBase ID: 108263
• Molecular Formular: C6H4N2
• Molecular Mass: 104.10936
• Monoisotopic Mass: 104.03744814
• SMILES: N#Cc1ccccn1
• Canonical SMILES: N#Cc1ccccn1
• InChI: InChI=1S/C6H4N2/c7-5-6-3-1-2-4-8-6/h1-4H
• InChIKey: FFNVQNRYTPFDDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyridine-2-carbonitrile
• IUPAC Traditional name: 2-cyanopyridine
• Synonyms: 2-Pyridinecarbonitrile; 2-Azabenzonitrile; 2-Pyridinenitrile; 2-Pyridyl Cyanide; 2-Pyridylnitrile; NSC 59697; Picolinic Acid Nitrile; α-Cyanopyridine; Picolinonitrile; 2-Cyanopyridine; 2-Pyridinecarbonitrile; 2-CYANOPYRIDINE; picolinonitrile; Pyridine-2-carbonitrile; 2-Cyanopyridine; 2-氰基吡啶; 2-吡啶甲腈; 2-氰基吡啶

Database IDs

• CAS Number: 100-70-9
• EC Number: 202-880-3
• MDL Number: MFCD00006218
• Beilstein Number: 107710
• PubChem SID: 162094026; 24893000
• PubChem CID: 7522

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.99750715
• LogD (pH = 7.4): 0.99751973
• Log P: 0.9975199
• Molar Refractivity: 29.2507 cm^3
• Polarizability: 11.264102 Å^3
• Polar Surface Area: 36.68 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 24-27 °C; 24-27 °C(lit.); 26-28°C
• Boiling Point: 212-214°C; 212-215 °C(lit.)
• Flash Point: 192.2 °F; 89 °C; 89°C(192°F)
• Density: 1.081; 1.081 g/mL at 25 °C(lit.)
• Refractive Index: 1.5290; n20/D 1.529(lit.)

Safety Information

• European Hazard Symbols: X; Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36; 22-36/37/38
• Safety Statements: 26; 26-36
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335; H302-H319
• GHS Precautionary statements: P261-P305 + P351 + P338; P280F-P305+P351+P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98.0% (GC); 98%; 99%
• Grade: purum
• Empirical Formula (Hill Notation): C6H4N2

DETAILS

MP Biomedicals - 05206715

MP Biomedicals Rare Chemical collection

Sigma Aldrich - C94602

Packaging
5, 100, 500 g in glass bottle

Sigma Aldrich - 28570

Caution
may discolor to light-brown on storage
Other Notes
Precursor of the appropriate amidate for the modification of proteins via amidation1

Toronto Research Chemicals - C982170

2-Cyanopyridine is a cyano substituted pyridine. 2-Cyanopyridine is a related compound of nicotine and is a component of tobacco smoke condensate.

REFERENCES

• Matsushima, S. et al.: Beit. Tabakforsch. Int., 10, 31 (1979)
• French, R.C. et al.: Physiol. Plant Pathol., 19, 201 (1979)