100-54-9
Product Name:
3-Cyanopyridine
Formula:
C6H4N2
Synonyms:
3-Cyanopyridine;3-Pyridinecarbonitrile;Nicotinic acid nitrile;Nicotinonitrile
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Other Solid |
|---|---|
| Color/Form | NEEDLES FROM PETROLEUM ETHER |
| Boiling Point | 206.9 °C |
| Melting Point | 51 °C |
| Flash Point | 87 °C |
| Solubility | Soluble in hot petroleum ether |
| Density | 1.1590 @ 25 °C |
| Vapor Pressure | 0.29 [mmHg] |
| LogP | log Kow = 0.36 |
| Henry's Law Constant | Henry's Law constant = 2.74X10-7 atm-cu m/mole @ 25 °C |
| Dissociation Constants | pKa = 1.39 at 24 °C (conjugate acid) |
| Kovats Retention Index | 964.9 |
| Chemical Classes | Nitrogen Compounds -> Nitriles |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H318:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| 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 Ų |
| 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 |
PRODUCT INTRODUCTION
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.