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108-99-6

108-99-6 structural image
Product Name: 3-Picoline
Formula: C6H7N
Synonyms: 3-Methylpyridine;3-Picoline
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Beta-picoline is a colorless liquid with a sweetish odor. (NTP, 1992)
Color/Form Colorless liquid
Odor Sweetish, not unpleasant odor
Boiling Point 290 to 291 °F at 760 mmHg (NTP, 1992)
Melting Point -0.9 °F (NTP, 1992)
Flash Point 97 °F (NTP, 1992)
Solubility Very soluble (NTP, 1992)
Density 0.957 (USCG, 1999) - Less dense than water; will float
Vapor Density 3.21 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 6.05 [mmHg]
LogP 1.2
Henry's Law Constant Henry's Law constant = 7.73X10-6 atm-cu m/mol @ 25 °C
Stability/Shelf Life Stable under recommended storage conditions.
Autoignition Temperature 1000 °F (USCG, 1999)
Decomposition When heated to decomposition it emits toxic fumes of /nitrogen oxides/.
Heat of Vaporization 37.35 kJ/mol at 144.14 °C; 44.44 kJ/mol at 25 °C
Refractive Index Index of refraction: 1.5043 at@ 24 °C/D
Dissociation Constants 5.63 (at 25 °C)
Kovats Retention Index 838 831 850 850 852 852 877 857 845 852 859 841 849 849 850 872 841 845 837.5 850 834 835 841 832 832 832 825.6
Other Experimental Properties Hydroxyl radical reaction rate constant = 2.30X10-12 cu cm/molecule-sec at 25 °C
Chemical Classes Nitrogen Compounds -> Pyridines

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Corrosion
Corrosives
GHS05

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H226:Flammable liquids
H302:Acute toxicity,oral
H314:Skin corrosion/irritation
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
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.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
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 93.13 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 93.057849228 g/mol
Monoisotopic Mass 93.057849228 g/mol
Topological Polar Surface Area 12.9 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 52.1
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

Beta-picoline is a colorless liquid with a sweetish odor. (NTP, 1992)

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