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31643-49-9

31643-49-9 structural image
Product Name: 4-Nitrophthalonitrile
Formula: C8H3N3O2
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SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P270:Do not eat, drink or smoke when using this product.
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 173.13 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 0
Exact Mass 173.022526347 g/mol
Monoisotopic Mass 173.022526347 g/mol
Topological Polar Surface Area 93.4 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 302
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

4-Nitrophthalonitrile is an important chemical raw material, mainly used as an organic synthetic raw material or intermediate component.4-Nitrophthalonitrile reacts with potassium fluoride or sodium fluoride, carbonate or nitrite by heating to form tetracyano diphenyl ether and phenol. It can also be used as an electron acceptor to promote the effective π-stacking of electron-rich aromatic hydrocarbons with electron acceptors to form electron-donor-acceptor complexes.

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