CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Mostly soluble in water (8.89 g/L at 25 deg C); [ChemIDplus] |
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Vapor Pressure | 10.3 [mmHg] |
Kovats Retention Index | 717 729 |
Chemical Classes | Nitrogen Compounds -> Nitriles |
SAFETY INFORMATION
Signal word | Danger |
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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 |
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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.