100-54-9

Product Name: 3-Cyanopyridine

Formula: C6H4N2

Synonyms: 3-Cyanopyridine;3-Pyridinecarbonitrile;Nicotinic acid nitrile;Nicotinonitrile

Inquiry

CHEMICAL AND PHYSICAL PROPERTIES SAFETY INFORMATION COMPUTED DESCRIPTORS PRODUCT INTRODUCTION RELATED SUPPLIERS

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 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

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.