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78813-12-4

78813-12-4 structural image
Product Name: 2-NITROPHENOL-UL-14C
Formula: C6H5NO3
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description 2-nitrophenol is a yellow solid. Sinks in and mixes slowly with water. (USCG, 1999)
Color/Form Light yellow needles or prisms
Odor Peculiar, aromatic color
Taste SWEET TASTE
Boiling Point 417 to 421 °F at 760 mmHg (Decomposes) (NTP, 1992)
Melting Point 113 to 115 °F (NTP, 1992)
Flash Point 108 °C c.c.
Solubility less than 1 mg/mL at 70 °F (NTP, 1992)
Density 1.49 at 68 °F (USCG, 1999) - Denser than water; will sink
Vapor Pressure 1 mmHg at 120.7 °F (NTP, 1992)
LogP log Kow = 1.79
Henry's Law Constant Henry's Law constant = 1.3X10-5 atm-cu m/mol at 20 °C
Autoignition Temperature 550 °C
Decomposition When heated to decomp it emits toxic fumes of /nitrogen oxides/.
Heat of Combustion -8,912 Btu/lb = -4,950 cal/g = -207X10+5 J/kg
Heat of Vaporization 12,497.3 g cal/g mole
Ionization Efficiency Negative
Odor Threshold Detection in air: 8.0X10-11 moles/cu m
Refractive Index Index of refraction: 1.5723 at 50 °C/D
Dissociation Constants pKa = 7.230 at 25 °C
Kovats Retention Index 1099 1149 1166 1149 1147.1
Other Experimental Properties Heat of fusion: 17.44 kJ/mol
Chemical Classes Nitrogen Compounds -> Nitrophenols

COMPUTED DESCRIPTORS

Molecular Weight 139.11 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 0
Exact Mass 139.026943022 g/mol
Monoisotopic Mass 139.026943022 g/mol
Topological Polar Surface Area 66 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 131
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

2-nitrophenol is a yellow solid. Sinks in and mixes slowly with water. (USCG, 1999)