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99-09-2

99-09-2 structural image
Product Name: 3-Nitroaniline
Formula: C6H6N2O2
Synonyms: 3-Aminonitrobenzene
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description M-nitroaniline appears as yellow needles or yellow powder. (NTP, 1992)
Color/Form Yellow crystals from water
Odor Burning sweet odor
Boiling Point 581 to 585 °F at 760 mmHg (decomposes) (NTP, 1992)
Melting Point 237 °F (NTP, 1992)
Flash Point 199 °C
Solubility 16.7 [ug/mL] (The mean of the results at pH 7.4)
Density 0.9011 at 77 °F (NTP, 1992) - Less dense than water; will float
Vapor Pressure 1 mmHg at 246.7 °F ; 760 mmHg at 582.3 °F (NTP, 1992)
LogP log Kow = 1.37
Henry's Law Constant Henry's Law constant = 7.91X10-9 atm-cu m/mol at 25 °C
Decomposition When heated to decomp it emits toxic fumes of /nitrogen oxides/.
Heat of Vaporization 108 kJ/mol
Ionization Efficiency Positive
Dissociation Constants pKa = 2.466 at 25 °C
Kovats Retention Index 1446 1446 254.17
Other Experimental Properties Forms water-soluble salts with mineral acids
Chemical Classes Nitrogen Compounds -> Nitroanilines

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Skull and Crossbones
Acute Toxicity
GHS06

Health Hazard
GHS08
GHS Hazard Statements H373:Specific target organ toxicity, repeated exposure
H412:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P314:Get medical advice/attention if you feel unwell.

COMPUTED DESCRIPTORS

Molecular Weight 138.12 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 138.042927438 g/mol
Monoisotopic Mass 138.042927438 g/mol
Topological Polar Surface Area 71.8 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 132
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

M-nitroaniline appears as yellow needles or yellow powder. (NTP, 1992)