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121-89-1

121-89-1 structural image
Product Name: 3-Nitroacetophenone
Formula: C8H7NO3
Synonyms: m-nitroacetophenone
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 3-nitroacetophenone is a light beige powder. (NTP, 1992)
Color/Form NEEDLES FROM ALCOHOL
Boiling Point 396 °F at 760 mmHg (NTP, 1992)
Melting Point 178 °F (NTP, 1992)
Solubility less than 0.1 mg/mL at 68 °F (NTP, 1992)
Vapor Pressure 0.0024 [mmHg]
LogP log Kow= 1.42 (experimental)
Kovats Retention Index 1410.8
Chemical Classes Nitrogen Compounds -> Other Aromatics (Nitrogen)

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
H332:Acute toxicity,inhalation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
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 165.15 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 165.042593085 g/mol
Monoisotopic Mass 165.042593085 g/mol
Topological Polar Surface Area 62.9 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 197
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

3-nitroacetophenone is a light beige powder. (NTP, 1992)

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