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18936-17-9

18936-17-9 structural image
Product Name: 2-METHYLBUTYRONITRILE
Formula: C5H9N
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Mostly soluble in water (8.89 g/L at 25 deg C); [ChemIDplus]
Vapor Pressure 10.3 [mmHg]
Kovats Retention Index 717 729
Chemical Classes Nitrogen Compounds -> Nitriles

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Flame
Flammables
GHS02

Skull and Crossbones
Acute Toxicity
GHS06

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08
GHS Hazard Statements H226:Flammable liquids
H300:Acute toxicity,oral
H304:Aspiration hazard
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H412:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
P240:Ground/bond container and receiving equipment.
P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P262:Do not get in eyes, on skin, or on clothing.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
P271:Use only outdoors or in a well-ventilated area.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P284:Wear respiratory protection.
P311:Call a POISON CENTER or doctor/physician.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P370+P378:In case of fire: Use … for extinction.
P405:Store locked up.
P403+P233:Store in a well-ventilated place. Keep container tightly closed.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 83.13 g/mol
XLogP3 1.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
Exact Mass 83.073499291 g/mol
Monoisotopic Mass 83.073499291 g/mol
Topological Polar Surface Area 23.8 Ų
Heavy Atom Count 6
Formal Charge 0
Complexity 67.3
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

2-methylbutanenitrile is a nitrile formed formally by substitution of a cyano group at C-2 of butane.