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1873-29-6

1873-29-6 structural image
Product Name: Isobutyl isocyanate
Formula: C5H9NO
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Isobutyl isocyanate appears as a colorless liquid. Less dense than water. Contact may severely irritate skin, eyes and mucous membranes. May be very toxic by ingestion, inhalation and skin absorption. Used to make pesticides and pharmaceuticals.
Chemical Classes Toxic Gases & Vapors -> Monoisocyanates

COMPUTED DESCRIPTORS

Molecular Weight 99.13 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 99.068413911 g/mol
Monoisotopic Mass 99.068413911 g/mol
Topological Polar Surface Area 29.4 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 82.1
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

Isobutyl isocyanate appears as a colorless liquid. Less dense than water. Contact may severely irritate skin, eyes and mucous membranes. May be very toxic by ingestion, inhalation and skin absorption. Used to make pesticides and pharmaceuticals.