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1321-12-6

1321-12-6 structural image
Product Name: nitrotoluene
Formula: C7H7NO2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description O-nitrotoluene is a light yellow oily liquid with a characteristic odor of aromatic nitro compounds. Sinks in water. Derived from toluene by nitration and separation by fractional distillation. Flash point 223 °F.
Color/Form Yellowish liquid at ordinary temperature
Odor Weak, aromatic odor
Boiling Point 431.1 °F at 760 mmHg (NTP, 1992)
Melting Point 14.9 °F (NTP, 1992)
Flash Point 223 °F (NTP, 1992)
Solubility less than 1 mg/mL at 70 °F (NTP, 1992)
Density 1.1622 at 66.2 °F (USCG, 1999) - Denser than water; will sink
Vapor Density 4.72 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Vapor Pressure 0.1 mmHg at 68 °F ; 0.25 mmHg at 86 °F; 1.6 mmHg at 140 °F (NTP, 1992)
LogP log Kow = 2.30
Henry's Law Constant Henry's Law constant = 1.25X10-5 atm-cu m/mole at 25 °C
Stability/Shelf Life /Heat contributes/ ... to instability. /Nitrotoluene/
Autoignition Temperature 581 °F (NTP, 1992)
Decomposition The substance decomposes ... /to/ form nitrogen oxides, carbon monoxide.
Viscosity 2.7 mPa (= cP)
Heat of Combustion -11,290 Btu/lb = -6,272 cal/g = -262 x 10+5 J/kg
Heat of Vaporization 12,239.1 gcal/gmole
Surface Tension In dynes/cm: 42.29, 41.76, and 40.50 at 15, 19.5, 20, and 30 °C, respectively
Ionization Potential 9.43 eV
Odor Threshold Odor Threshold Low: 0.05 [mmHg] Odor threshold from "Quick Guide: The Electronic NIOSH Pocket Guide to Chemical Hazards"
Refractive Index Index of refraction: 1.5472 at 20 °C/D
Kovats Retention Index 1155 1153.4
Other Experimental Properties Volatile with steam
Chemical Classes Nitrogen Compounds -> Nitros, Aromatic

COMPUTED DESCRIPTORS

Molecular Weight 137.14 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 137.047678466 g/mol
Monoisotopic Mass 137.047678466 g/mol
Topological Polar Surface Area 45.8 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 130
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

O-nitrotoluene is a light yellow oily liquid with a characteristic odor of aromatic nitro compounds. Sinks in water. Derived from toluene by nitration and separation by fractional distillation. Flash point 223 °F.

RELATED SUPPLIERS

LANXESS India Pvt. Ltd.

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product:1321-12-6 Mononitrotoluene 98%
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