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99-51-4

99-51-4 structural image
Product Name: 4-Nitro-o-xylene
Formula: C8H9NO2
Synonyms: 4-Nitro-o-xylene
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 1,2-dimethyl-4-nitrobenzene appears as yellow prisms or yellow crystalline solid. (NTP, 1992)
Color/Form YELLOW PRISMS FROM ALCOHOL
Boiling Point 489 °F at 748 mmHg (NTP, 1992)
Melting Point 86 to 88 °F (NTP, 1992)
Flash Point 225 °F (NTP, 1992)
Solubility 1 to 5 mg/mL at 59 °F (NTP, 1992)
Density 1.117 (NTP, 1992) - Denser than water; will sink
Kovats Retention Index 1283.4
Other Experimental Properties SPECIFIC GRAVITY: 1.135; MP: 2 °C; BP: 246 °C /NITROXYLENE/
Chemical Classes Nitrogen Compounds -> Nitros, Aromatic

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes 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.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 151.16 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 151.063328530 g/mol
Monoisotopic Mass 151.063328530 g/mol
Topological Polar Surface Area 45.8 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 153
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

1,2-dimethyl-4-nitrobenzene appears as yellow prisms or yellow crystalline solid. (NTP, 1992)