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99-12-7

99-12-7 structural image
Product Name: Nitroxylol
Formula: C8H9NO2
Synonyms: 5-Nitro-m-xylene
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 1,3-dimethyl-5-nitrobenzene appears as needles or yellow crystalline solid. (NTP, 1992)
Boiling Point 484 °F at 760 mmHg (NTP, 1992)
Melting Point 162 to 165 °F (NTP, 1992)
Solubility less than 1 mg/mL at 59 °F (NTP, 1992)
Kovats Retention Index 1236.6

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06
GHS Hazard Statements H301:Acute toxicity,oral
H311:Acute toxicity,dermal
H331:Acute toxicity,inhalation
Precautionary Statement Codes 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.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P284:Wear respiratory protection.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
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 151.16 g/mol
XLogP3 2.5
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 143
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

1,3-dimethyl-5-nitrobenzene appears as needles or yellow crystalline solid. (NTP, 1992)